2-methyl-N-[(4-pyrrol-1-ylphenyl)methyl]quinoline-4-carboxamide

C22H19N3O — CID 5300704

IUPAC2-methyl-N-[(4-pyrrol-1-ylphenyl)methyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(-n3cccc3)cc2)c2ccccc2n1
InChIInChI=1S/C22H19N3O/c1-16-14-20(19-6-2-3-7-21(19)24-16)22(26)23-15-17-8-10-18(11-9-17)25-12-4-5-13-25/h2-14H,15H2,1H3,(H,23,26)
InChIKeyUMCUDUDYARDRRU-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.26
Rot. Bonds4

About 2-methyl-N-[(4-pyrrol-1-ylphenyl)methyl]quinoline-4-carboxamide

2-methyl-N-[(4-pyrrol-1-ylphenyl)methyl]quinoline-4-carboxamide (PubChem CID 5300704) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-methyl-N-[(4-pyrrol-1-ylphenyl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(4-pyrrol-1-ylphenyl)methyl]quinoline-4-carboxamide
PubChem CID5300704
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name2-methyl-N-[(4-pyrrol-1-ylphenyl)methyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(-n3cccc3)cc2)c2ccccc2n1
InChIInChI=1S/C22H19N3O/c1-16-14-20(19-6-2-3-7-21(19)24-16)22(26)23-15-17-8-10-18(11-9-17)25-12-4-5-13-25/h2-14H,15H2,1H3,(H,23,26)
InChIKeyUMCUDUDYARDRRU-UHFFFAOYSA-N
XLogP4.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
CID 7959679
methyl N-[[4-[[(2-methylquinoline-4-carbonyl)amino]methyl]phenyl]methyl]carbamate
CID 18729746
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylquinoline-4-carboxamide
CID 37426486
N-(2-benzamidoethyl)-2-methylquinoline-4-carboxamide
CID 38202874
N-(cyanomethyl)-2-methylquinoline-4-carboxamide
CID 51890088
2-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoline-4-carboxamide
CID 36754760
2-methyl-N-[(2R)-4-phenylbutan-2-yl]quinoline-4-carboxamide
CID 7032720
(2S)-2-hydroxy-4-[(2-methylquinoline-4-carbonyl)amino]butanoic acid
CID 107834591
N-(5-iodopentyl)-2-methylquinoline-4-carboxamide
CID 107322663
2,6-dimethyl-N-[(3-methylphenyl)methyl]quinoline-4-carboxamide
CID 34167121
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-methylquinoline-4-carboxamide
CID 4786592
N-[2-(azepan-1-yl)ethyl]-2-methylquinoline-4-carboxamide
CID 46291441

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-pyrrol-1-ylphenyl)methyl]quinoline-4-carboxamide?
The IUPAC name of 2-methyl-N-[(4-pyrrol-1-ylphenyl)methyl]quinoline-4-carboxamide (CID 5300704) is 2-methyl-N-[(4-pyrrol-1-ylphenyl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[(4-pyrrol-1-ylphenyl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 2-methyl-N-[(4-pyrrol-1-ylphenyl)methyl]quinoline-4-carboxamide is Cc1cc(C(=O)NCc2ccc(-n3cccc3)cc2)c2ccccc2n1.
What is the InChIKey of 2-methyl-N-[(4-pyrrol-1-ylphenyl)methyl]quinoline-4-carboxamide?
The InChIKey is UMCUDUDYARDRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-16-14-20(19-6-2-3-7-21(19)24-16)22(26)23-15-17-8-10-18(11-9-17)25-12-4-5-13-25/h2-14H,15H2,1H3,(H,23,26).
What are the key properties of 2-methyl-N-[(4-pyrrol-1-ylphenyl)methyl]quinoline-4-carboxamide?
2-methyl-N-[(4-pyrrol-1-ylphenyl)methyl]quinoline-4-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-pyrrol-1-ylphenyl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 5300704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).