4-bromo-N-(2-methylquinolin-8-yl)-1H-pyrrole-2-carboxamide

C15H12BrN3O — CID 62954640

IUPAC4-bromo-N-(2-methylquinolin-8-yl)-1H-pyrrole-2-carboxamide
SMILESCc1ccc2cccc(NC(=O)c3cc(Br)c[nH]3)c2n1
InChIInChI=1S/C15H12BrN3O/c1-9-5-6-10-3-2-4-12(14(10)18-9)19-15(20)13-7-11(16)8-17-13/h2-8,17H,1H3,(H,19,20)
InChIKeyLQGIHWJCMXRNNO-UHFFFAOYSA-N
MW330.19 g/mol
LogP3.89
Rot. Bonds2

About 4-bromo-N-(2-methylquinolin-8-yl)-1H-pyrrole-2-carboxamide

4-bromo-N-(2-methylquinolin-8-yl)-1H-pyrrole-2-carboxamide (PubChem CID 62954640) has the molecular formula C15H12BrN3O and a molecular weight of 330.19 g/mol. Its IUPAC name is 4-bromo-N-(2-methylquinolin-8-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2-methylquinolin-8-yl)-1H-pyrrole-2-carboxamide
PubChem CID62954640
Molecular FormulaC15H12BrN3O
Molecular Weight330.19 g/mol
Exact Mass329.02
IUPAC Name4-bromo-N-(2-methylquinolin-8-yl)-1H-pyrrole-2-carboxamide
SMILESCc1ccc2cccc(NC(=O)c3cc(Br)c[nH]3)c2n1
InChIInChI=1S/C15H12BrN3O/c1-9-5-6-10-3-2-4-12(14(10)18-9)19-15(20)13-7-11(16)8-17-13/h2-8,17H,1H3,(H,19,20)
InChIKeyLQGIHWJCMXRNNO-UHFFFAOYSA-N
XLogP3.89
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(3-hydroxy-2-methylphenyl)-1H-pyrrole-2-carboxamide
CID 64793249
5-bromo-N-(2-methylquinolin-8-yl)pyridine-3-carboxamide
CID 62954817
5-bromo-2,3,4-trimethyl-N-(2-methylquinolin-8-yl)benzamide
CID 23833429
4-bromo-N-(2-methylsulfanylphenyl)-1H-pyrrole-2-carboxamide
CID 47116125
4-bromo-N-(2-methylquinolin-4-yl)-1H-pyrrole-2-carboxamide
CID 43411205
N-(2-methylquinolin-8-yl)-3-phenylbenzamide
CID 171473806
4-bromo-N-(4-methyl-3-pyridinyl)-1H-pyrrole-2-carboxamide
CID 55220101
2-hydroxy-N-(2-methylquinolin-8-yl)benzamide
CID 62954992
6-chloro-N-(2-methylquinolin-8-yl)pyrazine-2-carboxamide
CID 103337437
4-bromo-N-(2-methyl-3-nitrophenyl)-1H-pyrrole-2-carboxamide
CID 18097680
3-acetamido-N-(2-methylquinolin-8-yl)benzamide
CID 110745574
N-(2-methylquinolin-8-yl)-1-benzofuran-2-carboxamide
CID 2996037

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-methylquinolin-8-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(2-methylquinolin-8-yl)-1H-pyrrole-2-carboxamide (CID 62954640) is 4-bromo-N-(2-methylquinolin-8-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(2-methylquinolin-8-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(2-methylquinolin-8-yl)-1H-pyrrole-2-carboxamide is Cc1ccc2cccc(NC(=O)c3cc(Br)c[nH]3)c2n1.
What is the InChIKey of 4-bromo-N-(2-methylquinolin-8-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is LQGIHWJCMXRNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O/c1-9-5-6-10-3-2-4-12(14(10)18-9)19-15(20)13-7-11(16)8-17-13/h2-8,17H,1H3,(H,19,20).
What are the key properties of 4-bromo-N-(2-methylquinolin-8-yl)-1H-pyrrole-2-carboxamide?
4-bromo-N-(2-methylquinolin-8-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 330.19 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-methylquinolin-8-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 62954640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).