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

C15H12BrN3O — CID 43411205

IUPAC4-bromo-N-(2-methylquinolin-4-yl)-1H-pyrrole-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(Br)c[nH]2)c2ccccc2n1
InChIInChI=1S/C15H12BrN3O/c1-9-6-13(11-4-2-3-5-12(11)18-9)19-15(20)14-7-10(16)8-17-14/h2-8,17H,1H3,(H,18,19,20)
InChIKeyILSKDDZGVQFZBU-UHFFFAOYSA-N
MW330.19 g/mol
LogP3.89
Rot. Bonds2

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

4-bromo-N-(2-methylquinolin-4-yl)-1H-pyrrole-2-carboxamide (PubChem CID 43411205) has the molecular formula C15H12BrN3O and a molecular weight of 330.19 g/mol. Its IUPAC name is 4-bromo-N-(2-methylquinolin-4-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2-methylquinolin-4-yl)-1H-pyrrole-2-carboxamide
PubChem CID43411205
Molecular FormulaC15H12BrN3O
Molecular Weight330.19 g/mol
Exact Mass329.02
IUPAC Name4-bromo-N-(2-methylquinolin-4-yl)-1H-pyrrole-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(Br)c[nH]2)c2ccccc2n1
InChIInChI=1S/C15H12BrN3O/c1-9-6-13(11-4-2-3-5-12(11)18-9)19-15(20)14-7-10(16)8-17-14/h2-8,17H,1H3,(H,18,19,20)
InChIKeyILSKDDZGVQFZBU-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

2-iodo-N-(2-methylquinolin-4-yl)benzamide
CID 60653788
2-methyl-N-(2-methylquinolin-4-yl)benzamide
CID 3291896
4-bromo-N-(2-methylquinolin-8-yl)-1H-pyrrole-2-carboxamide
CID 62954640
2,3-dimethyl-N-(2-methylquinolin-4-yl)quinoxaline-6-carboxamide
CID 29152059
N'-(4-bromo-1H-pyrrole-2-carbonyl)-2,6-dimethylquinoline-4-carbohydrazide
CID 31597602
4-bromo-N-(2-methylsulfanylphenyl)-1H-pyrrole-2-carboxamide
CID 47116125
4-bromo-N-(3-hydroxy-2-methylphenyl)-1H-pyrrole-2-carboxamide
CID 64793249
1-(2-methylquinolin-4-yl)-3-phenylurea
CID 5110969
3-chloro-N-(2-methylquinolin-4-yl)benzamide
CID 4298030
N-(2-methylquinolin-4-yl)-3-sulfanylbenzamide
CID 107020202
4-bromo-N-(4-methyl-3-pyridinyl)-1H-pyrrole-2-carboxamide
CID 55220101
4-bromo-N-(2-hydroxy-4-methylphenyl)-1H-pyrrole-2-carboxamide
CID 18109016

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-methylquinolin-4-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(2-methylquinolin-4-yl)-1H-pyrrole-2-carboxamide (CID 43411205) is 4-bromo-N-(2-methylquinolin-4-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(2-methylquinolin-4-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(2-methylquinolin-4-yl)-1H-pyrrole-2-carboxamide is Cc1cc(NC(=O)c2cc(Br)c[nH]2)c2ccccc2n1.
What is the InChIKey of 4-bromo-N-(2-methylquinolin-4-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is ILSKDDZGVQFZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O/c1-9-6-13(11-4-2-3-5-12(11)18-9)19-15(20)14-7-10(16)8-17-14/h2-8,17H,1H3,(H,18,19,20).
What are the key properties of 4-bromo-N-(2-methylquinolin-4-yl)-1H-pyrrole-2-carboxamide?
4-bromo-N-(2-methylquinolin-4-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-4-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 43411205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).