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

C29H24N4O4 — CID 24966402

IUPAC2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-phenylpyridine-3-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(Nc4ncccc4C(=O)Nc4ccccc4)cc3)c2cc1OC
InChIInChI=1S/C29H24N4O4/c1-35-26-17-23-24(18-27(26)36-2)30-16-14-25(23)37-21-12-10-20(11-13-21)32-28-22(9-6-15-31-28)29(34)33-19-7-4-3-5-8-19/h3-18H,1-2H3,(H,31,32)(H,33,34)
InChIKeyMONDSYSIVPHHJG-UHFFFAOYSA-N
MW492.54 g/mol
LogP6.44
Rot. Bonds8

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

2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-phenylpyridine-3-carboxamide (PubChem CID 24966402) has the molecular formula C29H24N4O4 and a molecular weight of 492.54 g/mol. Its IUPAC name is 2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-phenylpyridine-3-carboxamide
PubChem CID24966402
Molecular FormulaC29H24N4O4
Molecular Weight492.54 g/mol
Exact Mass492.18
IUPAC Name2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-phenylpyridine-3-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(Nc4ncccc4C(=O)Nc4ccccc4)cc3)c2cc1OC
InChIInChI=1S/C29H24N4O4/c1-35-26-17-23-24(18-27(26)36-2)30-16-14-25(23)37-21-12-10-20(11-13-21)32-28-22(9-6-15-31-28)29(34)33-19-7-4-3-5-8-19/h3-18H,1-2H3,(H,31,32)(H,33,34)
InChIKeyMONDSYSIVPHHJG-UHFFFAOYSA-N
XLogP6.44
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.54
LogP ≤ 56.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]pyridine-3-carboxamide
CID 22132777
methyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]benzoate
CID 22132633
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-phenylaniline
CID 23022656
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-methylurea
CID 23084603
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2,3-difluorobenzamide
CID 59813365
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[(2-methoxyphenyl)carbamoyl]urea
CID 22935499
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(pyridin-2-ylmethyl)urea
CID 22132639
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]cyclopropanecarboxamide
CID 141414883
4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid
CID 22132796
2-anilino-N-(4-methylphenyl)pyridine-3-carboxamide
CID 23632392
6-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-phenylpyridazin-3-amine
CID 11857506

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-phenylpyridine-3-carboxamide?
The IUPAC name of 2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-phenylpyridine-3-carboxamide (CID 24966402) is 2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-phenylpyridine-3-carboxamide is COc1cc2nccc(Oc3ccc(Nc4ncccc4C(=O)Nc4ccccc4)cc3)c2cc1OC.
What is the InChIKey of 2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-phenylpyridine-3-carboxamide?
The InChIKey is MONDSYSIVPHHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4O4/c1-35-26-17-23-24(18-27(26)36-2)30-16-14-25(23)37-21-12-10-20(11-13-21)32-28-22(9-6-15-31-28)29(34)33-19-7-4-3-5-8-19/h3-18H,1-2H3,(H,31,32)(H,33,34).
What are the key properties of 2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-phenylpyridine-3-carboxamide?
2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-phenylpyridine-3-carboxamide has a molecular weight of 492.54 g/mol, XLogP of 6.44, 8 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-4-yl)oxyanilino]-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 24966402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).