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

C14H12N4O — CID 62634029

IUPAC4-amino-N-quinolin-6-yl-1H-pyrrole-2-carboxamide
SMILESNc1c[nH]c(C(=O)Nc2ccc3ncccc3c2)c1
InChIInChI=1S/C14H12N4O/c15-10-7-13(17-8-10)14(19)18-11-3-4-12-9(6-11)2-1-5-16-12/h1-8,17H,15H2,(H,18,19)
InChIKeyJWGNQYDYHHFPBR-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.40
Rot. Bonds2

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

4-amino-N-quinolin-6-yl-1H-pyrrole-2-carboxamide (PubChem CID 62634029) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 4-amino-N-quinolin-6-yl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-quinolin-6-yl-1H-pyrrole-2-carboxamide
PubChem CID62634029
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name4-amino-N-quinolin-6-yl-1H-pyrrole-2-carboxamide
SMILESNc1c[nH]c(C(=O)Nc2ccc3ncccc3c2)c1
InChIInChI=1S/C14H12N4O/c15-10-7-13(17-8-10)14(19)18-11-3-4-12-9(6-11)2-1-5-16-12/h1-8,17H,15H2,(H,18,19)
InChIKeyJWGNQYDYHHFPBR-UHFFFAOYSA-N
XLogP2.40
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-quinolin-6-yl-1H-pyrrole-2-carboxamide
CID 60555786
N-quinolin-6-ylbenzamide
CID 833617
4-amino-N-quinolin-8-yl-1H-pyrrole-2-carboxamide
CID 43642698
6-amino-N-quinolin-6-ylpyridine-3-carboxamide
CID 62642214
N,N'-di(quinolin-6-yl)propanediamide
CID 2837594
5-chloro-N-quinolin-6-ylpyrazine-2-carboxamide
CID 103803742
N-quinolin-6-yl-1,3-thiazole-4-carboxamide
CID 63047708
4-amino-N-(4-phenylphenyl)-1H-pyrrole-2-carboxamide
CID 61111725
5-fluoro-N-quinolin-6-yl-1H-indole-2-carboxamide
CID 4905152
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

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-quinolin-6-yl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-quinolin-6-yl-1H-pyrrole-2-carboxamide (CID 62634029) is 4-amino-N-quinolin-6-yl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-quinolin-6-yl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-quinolin-6-yl-1H-pyrrole-2-carboxamide is Nc1c[nH]c(C(=O)Nc2ccc3ncccc3c2)c1.
What is the InChIKey of 4-amino-N-quinolin-6-yl-1H-pyrrole-2-carboxamide?
The InChIKey is JWGNQYDYHHFPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c15-10-7-13(17-8-10)14(19)18-11-3-4-12-9(6-11)2-1-5-16-12/h1-8,17H,15H2,(H,18,19).
What are the key properties of 4-amino-N-quinolin-6-yl-1H-pyrrole-2-carboxamide?
4-amino-N-quinolin-6-yl-1H-pyrrole-2-carboxamide has a molecular weight of 252.28 g/mol, XLogP of 2.40, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-quinolin-6-yl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 62634029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).