2-[4-(6,7-dimethoxyquinolin-2-yl)oxyanilino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide

C31H28N4O4 — CID 91266756

IUPAC2-[4-(6,7-dimethoxyquinolin-2-yl)oxyanilino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1cc2ccc(Oc3ccc(Nc4ncccc4C(=O)NCc4ccc(C)cc4)cc3)nc2cc1OC
InChIInChI=1S/C31H28N4O4/c1-20-6-8-21(9-7-20)19-33-31(36)25-5-4-16-32-30(25)34-23-11-13-24(14-12-23)39-29-15-10-22-17-27(37-2)28(38-3)18-26(22)35-29/h4-18H,19H2,1-3H3,(H,32,34)(H,33,36)
InChIKeyLYTUWHXTRAWFTQ-UHFFFAOYSA-N
MW520.59 g/mol
LogP6.42
Rot. Bonds9

About 2-[4-(6,7-dimethoxyquinolin-2-yl)oxyanilino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide

2-[4-(6,7-dimethoxyquinolin-2-yl)oxyanilino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 91266756) has the molecular formula C31H28N4O4 and a molecular weight of 520.59 g/mol. Its IUPAC name is 2-[4-(6,7-dimethoxyquinolin-2-yl)oxyanilino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-(6,7-dimethoxyquinolin-2-yl)oxyanilino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
PubChem CID91266756
Molecular FormulaC31H28N4O4
Molecular Weight520.59 g/mol
Exact Mass520.21
IUPAC Name2-[4-(6,7-dimethoxyquinolin-2-yl)oxyanilino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1cc2ccc(Oc3ccc(Nc4ncccc4C(=O)NCc4ccc(C)cc4)cc3)nc2cc1OC
InChIInChI=1S/C31H28N4O4/c1-20-6-8-21(9-7-20)19-33-31(36)25-5-4-16-32-30(25)34-23-11-13-24(14-12-23)39-29-15-10-22-17-27(37-2)28(38-3)18-26(22)35-29/h4-18H,19H2,1-3H3,(H,32,34)(H,33,36)
InChIKeyLYTUWHXTRAWFTQ-UHFFFAOYSA-N
XLogP6.42
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.59
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[(6,7-dimethoxyquinolin-4-yl)methyl]anilino]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 70653401
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyanilino)pyridine-3-carboxamide
CID 55394070
2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-phenylpyridine-3-carboxamide
CID 24966402
2-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 84573928
2-(4-methoxyanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide
CID 90681001
2-[(4-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 19154817
N-[2-(4-methoxyanilino)-3-pyridinyl]-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide
CID 118724063
2-(4-methoxyanilino)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide
CID 55844320
2-amino-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66844013
N-(3,4-dichlorophenyl)-2-(4-methoxyanilino)pyridine-3-carboxamide
CID 23632726
2-(4-ethoxyanilino)-N-methylpyridine-3-carboxamide
CID 12812828
2-anilino-N-(4-methylphenyl)pyridine-3-carboxamide
CID 23632392

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6,7-dimethoxyquinolin-2-yl)oxyanilino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-[4-(6,7-dimethoxyquinolin-2-yl)oxyanilino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide (CID 91266756) is 2-[4-(6,7-dimethoxyquinolin-2-yl)oxyanilino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-(6,7-dimethoxyquinolin-2-yl)oxyanilino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[4-(6,7-dimethoxyquinolin-2-yl)oxyanilino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide is COc1cc2ccc(Oc3ccc(Nc4ncccc4C(=O)NCc4ccc(C)cc4)cc3)nc2cc1OC.
What is the InChIKey of 2-[4-(6,7-dimethoxyquinolin-2-yl)oxyanilino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is LYTUWHXTRAWFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N4O4/c1-20-6-8-21(9-7-20)19-33-31(36)25-5-4-16-32-30(25)34-23-11-13-24(14-12-23)39-29-15-10-22-17-27(37-2)28(38-3)18-26(22)35-29/h4-18H,19H2,1-3H3,(H,32,34)(H,33,36).
What are the key properties of 2-[4-(6,7-dimethoxyquinolin-2-yl)oxyanilino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
2-[4-(6,7-dimethoxyquinolin-2-yl)oxyanilino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 520.59 g/mol, XLogP of 6.42, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6,7-dimethoxyquinolin-2-yl)oxyanilino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 91266756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).