4-chloro-1-methyl-N-(quinolin-6-ylmethyl)pyrrole-2-carboxamide

C16H14ClN3O — CID 154796695

IUPAC4-chloro-1-methyl-N-(quinolin-6-ylmethyl)pyrrole-2-carboxamide
SMILESCn1cc(Cl)cc1C(=O)NCc1ccc2ncccc2c1
InChIInChI=1S/C16H14ClN3O/c1-20-10-13(17)8-15(20)16(21)19-9-11-4-5-14-12(7-11)3-2-6-18-14/h2-8,10H,9H2,1H3,(H,19,21)
InChIKeyICCVKEQVSGIULG-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.16
Rot. Bonds3

About 4-chloro-1-methyl-N-(quinolin-6-ylmethyl)pyrrole-2-carboxamide

4-chloro-1-methyl-N-(quinolin-6-ylmethyl)pyrrole-2-carboxamide (PubChem CID 154796695) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-(quinolin-6-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-(quinolin-6-ylmethyl)pyrrole-2-carboxamide
PubChem CID154796695
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name4-chloro-1-methyl-N-(quinolin-6-ylmethyl)pyrrole-2-carboxamide
SMILESCn1cc(Cl)cc1C(=O)NCc1ccc2ncccc2c1
InChIInChI=1S/C16H14ClN3O/c1-20-10-13(17)8-15(20)16(21)19-9-11-4-5-14-12(7-11)3-2-6-18-14/h2-8,10H,9H2,1H3,(H,19,21)
InChIKeyICCVKEQVSGIULG-UHFFFAOYSA-N
XLogP3.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(quinolin-6-ylmethyl)benzamide
CID 110472091
N-[(3-chlorophenyl)methyl]quinoline-6-carboxamide
CID 23653724
2,2-dimethyl-N-(quinolin-6-ylmethyl)propanamide
CID 110470774
1-methyl-4-phenyl-N-(quinolin-6-ylmethyl)piperidine-4-carboxamide
CID 118792538
quinolin-6-ylmethyl 4-amino-1-methylpyrrole-2-carboxylate
CID 61322875
N-[(4-fluorophenyl)methyl]quinoline-6-carboxamide
CID 59192191
4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-1-methylpyrrole-2-carboxamide
CID 32831369
3-(7-chloro-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(quinolin-6-ylmethyl)propanamide
CID 45166369
4-methylsulfonyl-N-(quinolin-6-ylmethyl)piperazine-1-carboxamide
CID 136538713
N-[(2,2-dimethyl-1,3-benzodioxol-5-yl)methyl]quinoline-6-carboxamide
CID 143817195
2-chloro-N-[(1-methylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide
CID 53014032
N-[[3-(2-methylpropyl)phenyl]methyl]quinoline-6-carboxamide
CID 58387959

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-(quinolin-6-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-(quinolin-6-ylmethyl)pyrrole-2-carboxamide (CID 154796695) is 4-chloro-1-methyl-N-(quinolin-6-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-(quinolin-6-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-(quinolin-6-ylmethyl)pyrrole-2-carboxamide is Cn1cc(Cl)cc1C(=O)NCc1ccc2ncccc2c1.
What is the InChIKey of 4-chloro-1-methyl-N-(quinolin-6-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is ICCVKEQVSGIULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-20-10-13(17)8-15(20)16(21)19-9-11-4-5-14-12(7-11)3-2-6-18-14/h2-8,10H,9H2,1H3,(H,19,21).
What are the key properties of 4-chloro-1-methyl-N-(quinolin-6-ylmethyl)pyrrole-2-carboxamide?
4-chloro-1-methyl-N-(quinolin-6-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 299.76 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-(quinolin-6-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 154796695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).