3-[2-[5-(2-amino-6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridin-4-one;3-[2-[5-[6,7-dimethoxy-2-[(4-methoxyphenyl)methylamino]quinolin-4-yl]oxy-2-pyridinyl]acetyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridin-4-one

C80H80N8O13 — CID 158753522

IUPAC3-[2-[5-(2-amino-6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridin-4-one;3-[2-[5-[6,7-dimethoxy-2-[(4-methoxyphenyl)methylamino]quinolin-4-yl]oxy-2-pyridinyl]acetyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridin-4-one
SMILESCOc1cc2nc(N)cc(Oc3ccc(CC(=O)c4cn(CC5CCOCC5)cc(-c5ccc(C)cc5)c4=O)nc3)c2cc1OC.COc1ccc(CNc2cc(Oc3ccc(CC(=O)c4cn(CC5CCOCC5)cc(-c5ccc(C)cc5)c4=O)nc3)c3cc(OC)c(OC)cc3n2)cc1
InChIInChI=1S/C44H44N4O7.C36H36N4O6/c1-28-5-9-31(10-6-28)36-26-48(25-30-15-17-54-18-16-30)27-37(44(36)50)39(49)19-32-11-14-34(24-45-32)55-40-22-43(46-23-29-7-12-33(51-2)13-8-29)47-38-21-42(53-4)41(52-3)20-35(38)40;1-22-4-6-24(7-5-22)28-20-40(19-23-10-12-45-13-11-23)21-29(36(28)42)31(41)14-25-8-9-26(18-38-25)46-32-17-35(37)39-30-16-34(44-3)33(43-2)15-27(30)32/h5-14,20-22,24,26-27,30H,15-19,23,25H2,1-4H3,(H,46,47);4-9,15-18,20-21,23H,10-14,19H2,1-3H3,(H2,37,39)
InChIKeyINTUCCXYDYAKQT-UHFFFAOYSA-N
MW1361.56 g/mol
LogP14.06
Rot. Bonds24

About 3-[2-[5-(2-amino-6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridin-4-one;3-[2-[5-[6,7-dimethoxy-2-[(4-methoxyphenyl)methylamino]quinolin-4-yl]oxy-2-pyridinyl]acetyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridin-4-one

3-[2-[5-(2-amino-6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridin-4-one;3-[2-[5-[6,7-dimethoxy-2-[(4-methoxyphenyl)methylamino]quinolin-4-yl]oxy-2-pyridinyl]acetyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridin-4-one (PubChem CID 158753522) has the molecular formula C80H80N8O13 and a molecular weight of 1361.56 g/mol. Its IUPAC name is 3-[2-[5-(2-amino-6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridin-4-one;3-[2-[5-[6,7-dimethoxy-2-[(4-methoxyphenyl)methylamino]quinolin-4-yl]oxy-2-pyridinyl]acetyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridin-4-one.

Molecular Properties

Compound Name3-[2-[5-(2-amino-6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridin-4-one;3-[2-[5-[6,7-dimethoxy-2-[(4-methoxyphenyl)methylamino]quinolin-4-yl]oxy-2-pyridinyl]acetyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridin-4-one
PubChem CID158753522
Molecular FormulaC80H80N8O13
Molecular Weight1361.56 g/mol
Exact Mass1360.58
IUPAC Name3-[2-[5-(2-amino-6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridin-4-one;3-[2-[5-[6,7-dimethoxy-2-[(4-methoxyphenyl)methylamino]quinolin-4-yl]oxy-2-pyridinyl]acetyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridin-4-one
SMILESCOc1cc2nc(N)cc(Oc3ccc(CC(=O)c4cn(CC5CCOCC5)cc(-c5ccc(C)cc5)c4=O)nc3)c2cc1OC.COc1ccc(CNc2cc(Oc3ccc(CC(=O)c4cn(CC5CCOCC5)cc(-c5ccc(C)cc5)c4=O)nc3)c3cc(OC)c(OC)cc3n2)cc1
InChIInChI=1S/C44H44N4O7.C36H36N4O6/c1-28-5-9-31(10-6-28)36-26-48(25-30-15-17-54-18-16-30)27-37(44(36)50)39(49)19-32-11-14-34(24-45-32)55-40-22-43(46-23-29-7-12-33(51-2)13-8-29)47-38-21-42(53-4)41(52-3)20-35(38)40;1-22-4-6-24(7-5-22)28-20-40(19-23-10-12-45-13-11-23)21-29(36(28)42)31(41)14-25-8-9-26(18-38-25)46-32-17-35(37)39-30-16-34(44-3)33(43-2)15-27(30)32/h5-14,20-22,24,26-27,30H,15-19,23,25H2,1-4H3,(H,46,47);4-9,15-18,20-21,23H,10-14,19H2,1-3H3,(H2,37,39)
InChIKeyINTUCCXYDYAKQT-UHFFFAOYSA-N
XLogP14.06
TPSA250.82 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds24
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001361.56
LogP ≤ 514.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Analyze 3-[2-[5-(2-amino-6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridin-4-one;3-[2-[5-[6,7-dimethoxy-2-[(4-methoxyphenyl)methylamino]quinolin-4-yl]oxy-2-pyridinyl]acetyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridin-4-one with MolForge

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Launch Full Analysis

Related Compounds

Ono-7475
CID 90645873
5-[3-Fluoro-4-[[6-methoxy-7-(3-morpholinopropoxy)quinolin-4-yl]oxy]phenyl]-2-(4-fluorophenylamino)-3-methylpyrimidin-4(3H)-one
CID 11858109
5-[3-Fluoro-4-({6-methoxy-7-[3-(morpholin-4-yl)propoxy]quinolin-4-yl}oxy)phenyl]-3-methyl-2-[(4-methylphenyl)methyl]-3,4-dihydropyrimidin-4-one
CID 11858368
N-{5-[(6,7-Dimethoxyquinolin-4-Yl)oxy]pyridin-2-Yl}-1-Methyl-3-Oxo-2-Phenyl-5-(Pyridin-4-Yl)-2,3-Dihydro-1h-Pyrazole-4-Carboxamide
CID 11963346
4(3H)-Pyrimidinone, 2-[(4-fluorophenyl)amino]-5-[5-[[6-methoxy-7-[3-(4-morpholinyl)propoxy]-4-quinolinyl]oxy]-2-pyridinyl]-3-methyl-
CID 24769780
1-Benzyl-N-{5-[(6,7-Dimethoxyquinolin-4-Yl)oxy]pyridin-2-Yl}-2-Oxo-1,2-Dihydropyridine-3-Carboxamide
CID 60147015
N-[({5-[(6,7-Dimethoxyquinolin-4-yl)-oxy]pyridin-2-yl}amino)carbonyl]benzamide
CID 11510560
N-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]carbamothioyl]-2-phenylacetamide
CID 11648548
2-Anilino-5-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-methylpyrimidin-4-one
CID 11858191
N-(5-(6,7-dimethoxyquinolin-4-yloxy)pyridin-2-yl)-4-(methylamino)-2-oxo-1-phenyl-1,2-dihydropyridine-3-carboxamide
CID 44622837
1-benzyl-N-(5-(6,7-dimethoxyquinolin-4-yloxy)pyridin-2-yl)-4-(methylamino)-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 45274615
N-(5-(6,7-dimethoxyquinolin-4-yloxy)pyridin-2-yl)-4-(2-methoxyethylamino)-2-oxo-1-phenyl-1,2-dihydropyridine-3-carboxamide
CID 45274825

Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-(2-amino-6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridin-4-one;3-[2-[5-[6,7-dimethoxy-2-[(4-methoxyphenyl)methylamino]quinolin-4-yl]oxy-2-pyridinyl]acetyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridin-4-one?
The IUPAC name of 3-[2-[5-(2-amino-6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridin-4-one;3-[2-[5-[6,7-dimethoxy-2-[(4-methoxyphenyl)methylamino]quinolin-4-yl]oxy-2-pyridinyl]acetyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridin-4-one (CID 158753522) is 3-[2-[5-(2-amino-6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridin-4-one;3-[2-[5-[6,7-dimethoxy-2-[(4-methoxyphenyl)methylamino]quinolin-4-yl]oxy-2-pyridinyl]acetyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridin-4-one.
What is the SMILES notation for 3-[2-[5-(2-amino-6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridin-4-one;3-[2-[5-[6,7-dimethoxy-2-[(4-methoxyphenyl)methylamino]quinolin-4-yl]oxy-2-pyridinyl]acetyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridin-4-one?
The canonical SMILES for 3-[2-[5-(2-amino-6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridin-4-one;3-[2-[5-[6,7-dimethoxy-2-[(4-methoxyphenyl)methylamino]quinolin-4-yl]oxy-2-pyridinyl]acetyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridin-4-one is COc1cc2nc(N)cc(Oc3ccc(CC(=O)c4cn(CC5CCOCC5)cc(-c5ccc(C)cc5)c4=O)nc3)c2cc1OC.COc1ccc(CNc2cc(Oc3ccc(CC(=O)c4cn(CC5CCOCC5)cc(-c5ccc(C)cc5)c4=O)nc3)c3cc(OC)c(OC)cc3n2)cc1.
What is the InChIKey of 3-[2-[5-(2-amino-6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridin-4-one;3-[2-[5-[6,7-dimethoxy-2-[(4-methoxyphenyl)methylamino]quinolin-4-yl]oxy-2-pyridinyl]acetyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridin-4-one?
The InChIKey is INTUCCXYDYAKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H44N4O7.C36H36N4O6/c1-28-5-9-31(10-6-28)36-26-48(25-30-15-17-54-18-16-30)27-37(44(36)50)39(49)19-32-11-14-34(24-45-32)55-40-22-43(46-23-29-7-12-33(51-2)13-8-29)47-38-21-42(53-4)41(52-3)20-35(38)40;1-22-4-6-24(7-5-22)28-20-40(19-23-10-12-45-13-11-23)21-29(36(28)42)31(41)14-25-8-9-26(18-38-25)46-32-17-35(37)39-30-16-34(44-3)33(43-2)15-27(30)32/h5-14,20-22,24,26-27,30H,15-19,23,25H2,1-4H3,(H,46,47);4-9,15-18,20-21,23H,10-14,19H2,1-3H3,(H2,37,39).
What are the key properties of 3-[2-[5-(2-amino-6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridin-4-one;3-[2-[5-[6,7-dimethoxy-2-[(4-methoxyphenyl)methylamino]quinolin-4-yl]oxy-2-pyridinyl]acetyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridin-4-one?
3-[2-[5-(2-amino-6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridin-4-one;3-[2-[5-[6,7-dimethoxy-2-[(4-methoxyphenyl)methylamino]quinolin-4-yl]oxy-2-pyridinyl]acetyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridin-4-one has a molecular weight of 1361.56 g/mol, XLogP of 14.06, 24 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[5-(2-amino-6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridin-4-one;3-[2-[5-[6,7-dimethoxy-2-[(4-methoxyphenyl)methylamino]quinolin-4-yl]oxy-2-pyridinyl]acetyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)pyridin-4-one is sourced from PubChem (CID 158753522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).