N-cyclopropyl-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide
Thuốc Gốc
Small Molecule
CTHH: C25H22N2O4
PTK: 414.4532
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
414.4532
Monoisotopic mass
414.157957202
InChI
InChI=1S/C25H22N2O4/c1-29-23-13-20-21(14-24(23)30-2)26-11-10-22(20)31-17-8-9-18-15(12-17)4-3-5-19(18)25(28)27-16-6-7-16/h3-5,8-14,16H,6-7H2,1-2H3,(H,27,28)
InChI Key
InChIKey=ZATGFXTWDKIEKC-UHFFFAOYSA-N
IUPAC Name
N-cyclopropyl-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide
Traditional IUPAC Name
N-cyclopropyl-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide
SMILES
COC1=C(OC)C=C2C(OC3=CC4=CC=CC(C(=O)NC5CC5)=C4C=C3)=CC=NC2=C1
Độ hòa tan
1.80e-03 g/l
logP
3.85
logS
-5.4
pKa (strongest acidic)
15.5
pKa (Strongest Basic)
5.89
PSA
69.68 Å2
Refractivity
116.78 m3·mol-1
Polarizability
44.48 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
4
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
5
Bioavailability
1
Rule of Five
true
Ghose Filter
true
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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