4-bromo-N-(8-chloroquinolin-5-yl)-1-methylpyrrole-2-carboxamide

C15H11BrClN3O — CID 60727478

IUPAC4-bromo-N-(8-chloroquinolin-5-yl)-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)Nc1ccc(Cl)c2ncccc12
InChIInChI=1S/C15H11BrClN3O/c1-20-8-9(16)7-13(20)15(21)19-12-5-4-11(17)14-10(12)3-2-6-18-14/h2-8H,1H3,(H,19,21)
InChIKeyYTZDFOPSYBKQNM-UHFFFAOYSA-N
MW364.63 g/mol
LogP4.24
Rot. Bonds2

About 4-bromo-N-(8-chloroquinolin-5-yl)-1-methylpyrrole-2-carboxamide

4-bromo-N-(8-chloroquinolin-5-yl)-1-methylpyrrole-2-carboxamide (PubChem CID 60727478) has the molecular formula C15H11BrClN3O and a molecular weight of 364.63 g/mol. Its IUPAC name is 4-bromo-N-(8-chloroquinolin-5-yl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(8-chloroquinolin-5-yl)-1-methylpyrrole-2-carboxamide
PubChem CID60727478
Molecular FormulaC15H11BrClN3O
Molecular Weight364.63 g/mol
Exact Mass362.98
IUPAC Name4-bromo-N-(8-chloroquinolin-5-yl)-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)Nc1ccc(Cl)c2ncccc12
InChIInChI=1S/C15H11BrClN3O/c1-20-8-9(16)7-13(20)15(21)19-12-5-4-11(17)14-10(12)3-2-6-18-14/h2-8H,1H3,(H,19,21)
InChIKeyYTZDFOPSYBKQNM-UHFFFAOYSA-N
XLogP4.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.63
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-methyl-N-naphthalen-1-ylpyrrole-2-carboxamide
CID 43410998
5-bromo-N-(8-chloroquinolin-5-yl)-4-methylthiophene-2-carboxamide
CID 79988116
4-bromo-N-(3-chloro-2-methylphenyl)-1-methylpyrrole-2-carboxamide
CID 43411021
4-bromo-N-(3-chloro-2-fluorophenyl)-1-methylpyrrole-2-carboxamide
CID 43411034
2-bromo-N-(8-chloroquinolin-5-yl)propanamide
CID 107903962
N-(8-chloroquinolin-5-yl)furan-2-carboxamide
CID 33316746
4-bromo-N-[2-(hydroxymethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 60954936
4-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-1-methylpyrrole-2-carboxamide
CID 113349883
N-(8-chloroquinolin-5-yl)-3-(ethylamino)propanamide
CID 55121574
4-bromo-N-(1H-indazol-3-yl)-1-methylpyrrole-2-carboxamide
CID 62686203
4-bromo-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 43411079
1-(8-chloroquinolin-5-yl)-3-[(3R)-3-(4-methylpiperazin-1-yl)butyl]urea
CID 125164986

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(8-chloroquinolin-5-yl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(8-chloroquinolin-5-yl)-1-methylpyrrole-2-carboxamide (CID 60727478) is 4-bromo-N-(8-chloroquinolin-5-yl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(8-chloroquinolin-5-yl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(8-chloroquinolin-5-yl)-1-methylpyrrole-2-carboxamide is Cn1cc(Br)cc1C(=O)Nc1ccc(Cl)c2ncccc12.
What is the InChIKey of 4-bromo-N-(8-chloroquinolin-5-yl)-1-methylpyrrole-2-carboxamide?
The InChIKey is YTZDFOPSYBKQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClN3O/c1-20-8-9(16)7-13(20)15(21)19-12-5-4-11(17)14-10(12)3-2-6-18-14/h2-8H,1H3,(H,19,21).
What are the key properties of 4-bromo-N-(8-chloroquinolin-5-yl)-1-methylpyrrole-2-carboxamide?
4-bromo-N-(8-chloroquinolin-5-yl)-1-methylpyrrole-2-carboxamide has a molecular weight of 364.63 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(8-chloroquinolin-5-yl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 60727478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).