4-acetyl-N-quinolin-6-yl-1H-pyrrole-2-carboxamide

C16H13N3O2 — CID 60555786

IUPAC4-acetyl-N-quinolin-6-yl-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)Nc2ccc3ncccc3c2)c1
InChIInChI=1S/C16H13N3O2/c1-10(20)12-8-15(18-9-12)16(21)19-13-4-5-14-11(7-13)3-2-6-17-14/h2-9,18H,1H3,(H,19,21)
InChIKeyFELXKYQFVMQCGG-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.02
Rot. Bonds3

About 4-acetyl-N-quinolin-6-yl-1H-pyrrole-2-carboxamide

4-acetyl-N-quinolin-6-yl-1H-pyrrole-2-carboxamide (PubChem CID 60555786) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-acetyl-N-quinolin-6-yl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-quinolin-6-yl-1H-pyrrole-2-carboxamide
PubChem CID60555786
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name4-acetyl-N-quinolin-6-yl-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)Nc2ccc3ncccc3c2)c1
InChIInChI=1S/C16H13N3O2/c1-10(20)12-8-15(18-9-12)16(21)19-13-4-5-14-11(7-13)3-2-6-17-14/h2-9,18H,1H3,(H,19,21)
InChIKeyFELXKYQFVMQCGG-UHFFFAOYSA-N
XLogP3.02
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-quinolin-6-yl-1H-pyrrole-2-carboxamide
CID 62634029
N-quinolin-6-ylbenzamide
CID 833617
1-[4-(quinolin-6-ylamino)phenyl]ethanone
CID 82536653
N-(6-acetamido-1,3-benzothiazol-2-yl)-4-acetyl-1H-pyrrole-2-carboxamide
CID 134036840
4-acetyl-N-(3-fluorophenyl)-1H-pyrrole-2-carboxamide
CID 9072337
3,5-dibromo-N-quinolin-6-ylbenzamide
CID 107980427
N-quinolin-6-yl-2H-benzotriazole-5-carboxamide
CID 60555981
N-quinolin-6-yl-3-sulfanylbenzamide
CID 107028522
2-(methylamino)-N-quinolin-6-ylpyridine-4-carboxamide
CID 62640761
N,N'-di(quinolin-6-yl)propanediamide
CID 2837594
4-acetyl-N-(4-methylsulfanylphenyl)-1H-pyrrole-2-carboxamide
CID 9180228
N-quinolin-6-yl-1,3-thiazole-4-carboxamide
CID 63047708

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-quinolin-6-yl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-quinolin-6-yl-1H-pyrrole-2-carboxamide (CID 60555786) is 4-acetyl-N-quinolin-6-yl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-quinolin-6-yl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-quinolin-6-yl-1H-pyrrole-2-carboxamide is CC(=O)c1c[nH]c(C(=O)Nc2ccc3ncccc3c2)c1.
What is the InChIKey of 4-acetyl-N-quinolin-6-yl-1H-pyrrole-2-carboxamide?
The InChIKey is FELXKYQFVMQCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-10(20)12-8-15(18-9-12)16(21)19-13-4-5-14-11(7-13)3-2-6-17-14/h2-9,18H,1H3,(H,19,21).
What are the key properties of 4-acetyl-N-quinolin-6-yl-1H-pyrrole-2-carboxamide?
4-acetyl-N-quinolin-6-yl-1H-pyrrole-2-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-quinolin-6-yl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 60555786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).