N-benzhydryl-6-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide

C29H25N3O — CID 3616650

IUPACN-benzhydryl-6-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
SMILESCc1ccc2nc(-c3cccn3C)cc(C(=O)NC(c3ccccc3)c3ccccc3)c2c1
InChIInChI=1S/C29H25N3O/c1-20-15-16-25-23(18-20)24(19-26(30-25)27-14-9-17-32(27)2)29(33)31-28(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-19,28H,1-2H3,(H,31,33)
InChIKeyGRMCQGOXXDOBEC-UHFFFAOYSA-N
MW431.54 g/mol
LogP6.07
Rot. Bonds5

About N-benzhydryl-6-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide

N-benzhydryl-6-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide (PubChem CID 3616650) has the molecular formula C29H25N3O and a molecular weight of 431.54 g/mol. Its IUPAC name is N-benzhydryl-6-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-6-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
PubChem CID3616650
Molecular FormulaC29H25N3O
Molecular Weight431.54 g/mol
Exact Mass431.20
IUPAC NameN-benzhydryl-6-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
SMILESCc1ccc2nc(-c3cccn3C)cc(C(=O)NC(c3ccccc3)c3ccccc3)c2c1
InChIInChI=1S/C29H25N3O/c1-20-15-16-25-23(18-20)24(19-26(30-25)27-14-9-17-32(27)2)29(33)31-28(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-19,28H,1-2H3,(H,31,33)
InChIKeyGRMCQGOXXDOBEC-UHFFFAOYSA-N
XLogP6.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-N-(3-methylbutyl)-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 42749636
N-(1,2-diphenylethyl)-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 42659190
N-(3-methoxypropyl)-6-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 42749642
N-butan-2-yl-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 42750065
N-benzhydryl-1-(3-methylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 4564917
6-fluoro-N-(2-fluorophenyl)-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 42750067
N-[5-(diethylamino)pentan-2-yl]-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 3959644
[6-methyl-2-(1-methylpyrrol-2-yl)quinolin-4-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 42749623
6-methyl-N-(1-phenylethyl)-2-thiophen-3-ylquinoline-4-carboxamide
CID 42749878
(4-benzylpiperidin-1-yl)-[6-methyl-2-(1-methylpyrrol-2-yl)quinolin-4-yl]methanone
CID 42749610
6-fluoro-N-(3-methylbutyl)-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 42750100
N-(3,3-diphenylpropyl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 3397561

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-6-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide?
The IUPAC name of N-benzhydryl-6-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide (CID 3616650) is N-benzhydryl-6-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-benzhydryl-6-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide?
The canonical SMILES for N-benzhydryl-6-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide is Cc1ccc2nc(-c3cccn3C)cc(C(=O)NC(c3ccccc3)c3ccccc3)c2c1.
What is the InChIKey of N-benzhydryl-6-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide?
The InChIKey is GRMCQGOXXDOBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3O/c1-20-15-16-25-23(18-20)24(19-26(30-25)27-14-9-17-32(27)2)29(33)31-28(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-19,28H,1-2H3,(H,31,33).
What are the key properties of N-benzhydryl-6-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide?
N-benzhydryl-6-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 6.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-6-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 3616650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).