2-methyl-N-(1H-pyrrol-2-ylmethyl)quinoline-3-carboxamide

C16H15N3O — CID 110489587

IUPAC2-methyl-N-(1H-pyrrol-2-ylmethyl)quinoline-3-carboxamide
SMILESCc1nc2ccccc2cc1C(=O)NCc1ccc[nH]1
InChIInChI=1S/C16H15N3O/c1-11-14(9-12-5-2-3-7-15(12)19-11)16(20)18-10-13-6-4-8-17-13/h2-9,17H,10H2,1H3,(H,18,20)
InChIKeyXTBYIVDZDGHRSR-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.80
Rot. Bonds3

About 2-methyl-N-(1H-pyrrol-2-ylmethyl)quinoline-3-carboxamide

2-methyl-N-(1H-pyrrol-2-ylmethyl)quinoline-3-carboxamide (PubChem CID 110489587) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-methyl-N-(1H-pyrrol-2-ylmethyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(1H-pyrrol-2-ylmethyl)quinoline-3-carboxamide
PubChem CID110489587
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-methyl-N-(1H-pyrrol-2-ylmethyl)quinoline-3-carboxamide
SMILESCc1nc2ccccc2cc1C(=O)NCc1ccc[nH]1
InChIInChI=1S/C16H15N3O/c1-11-14(9-12-5-2-3-7-15(12)19-11)16(20)18-10-13-6-4-8-17-13/h2-9,17H,10H2,1H3,(H,18,20)
InChIKeyXTBYIVDZDGHRSR-UHFFFAOYSA-N
XLogP2.80
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-pyrrol-2-ylmethyl)naphthalene-1-carboxamide
CID 110440178
N-hexyl-2-methylquinoline-3-carboxamide
CID 110489615
1-methyl-N-(1H-pyrrol-2-ylmethyl)benzimidazole-2-carboxamide
CID 110469019
2-methyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]quinoline-3-carboxamide
CID 86888127
N-(1H-pyrrol-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 110445345
N,N'-bis(1H-pyrrol-2-ylmethyl)oxamide
CID 126500406
2,6-difluoro-N-(1H-pyrrol-2-ylmethyl)benzamide
CID 110468489
7-fluoro-2-methyl-N-(2-quinolin-2-ylethyl)quinoline-3-carboxamide
CID 71940493
N-[(2-fluorophenyl)methyl]-2-methyl-1,6-naphthyridine-3-carboxamide
CID 110851218
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide
CID 135708601
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methylquinoline-3-carboxamide
CID 86986167
2-amino-N-benzylquinoline-3-carboxamide
CID 14177193

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1H-pyrrol-2-ylmethyl)quinoline-3-carboxamide?
The IUPAC name of 2-methyl-N-(1H-pyrrol-2-ylmethyl)quinoline-3-carboxamide (CID 110489587) is 2-methyl-N-(1H-pyrrol-2-ylmethyl)quinoline-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(1H-pyrrol-2-ylmethyl)quinoline-3-carboxamide?
The canonical SMILES for 2-methyl-N-(1H-pyrrol-2-ylmethyl)quinoline-3-carboxamide is Cc1nc2ccccc2cc1C(=O)NCc1ccc[nH]1.
What is the InChIKey of 2-methyl-N-(1H-pyrrol-2-ylmethyl)quinoline-3-carboxamide?
The InChIKey is XTBYIVDZDGHRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-11-14(9-12-5-2-3-7-15(12)19-11)16(20)18-10-13-6-4-8-17-13/h2-9,17H,10H2,1H3,(H,18,20).
What are the key properties of 2-methyl-N-(1H-pyrrol-2-ylmethyl)quinoline-3-carboxamide?
2-methyl-N-(1H-pyrrol-2-ylmethyl)quinoline-3-carboxamide has a molecular weight of 265.32 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1H-pyrrol-2-ylmethyl)quinoline-3-carboxamide is sourced from PubChem (CID 110489587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).