4-amino-N-quinolin-8-yl-1H-pyrrole-2-carboxamide

C14H12N4O — CID 43642698

IUPAC4-amino-N-quinolin-8-yl-1H-pyrrole-2-carboxamide
SMILESNc1c[nH]c(C(=O)Nc2cccc3cccnc23)c1
InChIInChI=1S/C14H12N4O/c15-10-7-12(17-8-10)14(19)18-11-5-1-3-9-4-2-6-16-13(9)11/h1-8,17H,15H2,(H,18,19)
InChIKeyQQZCVGJXXYOBDC-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.40
Rot. Bonds2

About 4-amino-N-quinolin-8-yl-1H-pyrrole-2-carboxamide

4-amino-N-quinolin-8-yl-1H-pyrrole-2-carboxamide (PubChem CID 43642698) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 4-amino-N-quinolin-8-yl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-quinolin-8-yl-1H-pyrrole-2-carboxamide
PubChem CID43642698
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name4-amino-N-quinolin-8-yl-1H-pyrrole-2-carboxamide
SMILESNc1c[nH]c(C(=O)Nc2cccc3cccnc23)c1
InChIInChI=1S/C14H12N4O/c15-10-7-12(17-8-10)14(19)18-11-5-1-3-9-4-2-6-16-13(9)11/h1-8,17H,15H2,(H,18,19)
InChIKeyQQZCVGJXXYOBDC-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-pyrrolidin-1-ylsulfonyl-N-quinolin-8-yl-1H-pyrrole-2-carboxamide
CID 9451230
4-amino-N-quinolin-6-yl-1H-pyrrole-2-carboxamide
CID 62634029
4-amino-N-[2-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 43642725
4-hydrazinyl-N-quinolin-8-ylpyridine-2-carboxamide
CID 62235747
4-amino-N-(2-carbamoylphenyl)-1H-pyrrole-2-carboxamide
CID 43643909
6-chloro-N-quinolin-8-ylpyridine-2-carboxamide
CID 62235243
N-quinolin-8-yl-1H-indole-5-carboxamide
CID 110694998
2-N,5-N-di(quinolin-8-yl)thiophene-2,5-dicarboxamide
CID 23913298
5-fluoro-N-quinolin-8-yl-1H-indole-3-carboxamide
CID 113205746
N-quinolin-8-ylpyrazine-2-carboxamide
CID 139088852
4-amino-N-(2-phenylphenyl)-1H-pyrrole-2-carboxamide
CID 43642657
4-amino-N-pyridazin-3-yl-1H-pyrrole-2-carboxamide
CID 116786028

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-quinolin-8-yl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-quinolin-8-yl-1H-pyrrole-2-carboxamide (CID 43642698) is 4-amino-N-quinolin-8-yl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-quinolin-8-yl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-quinolin-8-yl-1H-pyrrole-2-carboxamide is Nc1c[nH]c(C(=O)Nc2cccc3cccnc23)c1.
What is the InChIKey of 4-amino-N-quinolin-8-yl-1H-pyrrole-2-carboxamide?
The InChIKey is QQZCVGJXXYOBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c15-10-7-12(17-8-10)14(19)18-11-5-1-3-9-4-2-6-16-13(9)11/h1-8,17H,15H2,(H,18,19).
What are the key properties of 4-amino-N-quinolin-8-yl-1H-pyrrole-2-carboxamide?
4-amino-N-quinolin-8-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-8-yl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 43642698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).