N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]pyridine-3-carboxamide

C23H19N3O4 — CID 22132777

IUPACN-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]pyridine-3-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)c4cccnc4)cc3)c2cc1OC
InChIInChI=1S/C23H19N3O4/c1-28-21-12-18-19(13-22(21)29-2)25-11-9-20(18)30-17-7-5-16(6-8-17)26-23(27)15-4-3-10-24-14-15/h3-14H,1-2H3,(H,26,27)
InChIKeyXRVUQPSIGMOLML-UHFFFAOYSA-N
MW401.42 g/mol
LogP4.69
Rot. Bonds6

About N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]pyridine-3-carboxamide

N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]pyridine-3-carboxamide (PubChem CID 22132777) has the molecular formula C23H19N3O4 and a molecular weight of 401.42 g/mol. Its IUPAC name is N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]pyridine-3-carboxamide
PubChem CID22132777
Molecular FormulaC23H19N3O4
Molecular Weight401.42 g/mol
Exact Mass401.14
IUPAC NameN-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]pyridine-3-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)c4cccnc4)cc3)c2cc1OC
InChIInChI=1S/C23H19N3O4/c1-28-21-12-18-19(13-22(21)29-2)25-11-9-20(18)30-17-7-5-16(6-8-17)26-23(27)15-4-3-10-24-14-15/h3-14H,1-2H3,(H,26,27)
InChIKeyXRVUQPSIGMOLML-UHFFFAOYSA-N
XLogP4.69
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]benzoate
CID 22132633
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]pyridine-3-carboxamide
CID 59813488
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
3,4-dimethoxy-N-(4-pyridin-3-yloxyphenyl)benzamide
CID 90643074
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-methylurea
CID 23084603
2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-phenylpyridine-3-carboxamide
CID 24966402
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]cyclopropanecarboxamide
CID 141414883
4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid
CID 22132796
methyl 3-(6,7-dimethoxyquinolin-4-yl)oxybenzoate
CID 71377074
N-(3,4-difluorophenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxyquinoline-3-carboxamide
CID 59813469
1-(2,6-dichlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
CID 11225457
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[(2-methoxyphenyl)carbamoyl]urea
CID 22935499

Frequently Asked Questions

What is the IUPAC name of N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]pyridine-3-carboxamide (CID 22132777) is N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]pyridine-3-carboxamide is COc1cc2nccc(Oc3ccc(NC(=O)c4cccnc4)cc3)c2cc1OC.
What is the InChIKey of N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]pyridine-3-carboxamide?
The InChIKey is XRVUQPSIGMOLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4/c1-28-21-12-18-19(13-22(21)29-2)25-11-9-20(18)30-17-7-5-16(6-8-17)26-23(27)15-4-3-10-24-14-15/h3-14H,1-2H3,(H,26,27).
What are the key properties of N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]pyridine-3-carboxamide?
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]pyridine-3-carboxamide has a molecular weight of 401.42 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 22132777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).