1-(6-bromo-8-chloroquinolin-2-yl)pyrrolidine-3-carboxamide

C14H13BrClN3O — CID 133437188

IUPAC1-(6-bromo-8-chloroquinolin-2-yl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(c2ccc3cc(Br)cc(Cl)c3n2)C1
InChIInChI=1S/C14H13BrClN3O/c15-10-5-8-1-2-12(18-13(8)11(16)6-10)19-4-3-9(7-19)14(17)20/h1-2,5-6,9H,3-4,7H2,(H2,17,20)
InChIKeyVUMNDUAVYABOTF-UHFFFAOYSA-N
MW354.64 g/mol
LogP2.96
Rot. Bonds2

About 1-(6-bromo-8-chloroquinolin-2-yl)pyrrolidine-3-carboxamide

1-(6-bromo-8-chloroquinolin-2-yl)pyrrolidine-3-carboxamide (PubChem CID 133437188) has the molecular formula C14H13BrClN3O and a molecular weight of 354.64 g/mol. Its IUPAC name is 1-(6-bromo-8-chloroquinolin-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-bromo-8-chloroquinolin-2-yl)pyrrolidine-3-carboxamide
PubChem CID133437188
Molecular FormulaC14H13BrClN3O
Molecular Weight354.64 g/mol
Exact Mass352.99
IUPAC Name1-(6-bromo-8-chloroquinolin-2-yl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(c2ccc3cc(Br)cc(Cl)c3n2)C1
InChIInChI=1S/C14H13BrClN3O/c15-10-5-8-1-2-12(18-13(8)11(16)6-10)19-4-3-9(7-19)14(17)20/h1-2,5-6,9H,3-4,7H2,(H2,17,20)
InChIKeyVUMNDUAVYABOTF-UHFFFAOYSA-N
XLogP2.96
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.64
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-bromo-8-chloroquinolin-2-yl)-N-propylpiperidine-4-carboxamide
CID 133436506
[4-(6-bromo-8-chloroquinolin-2-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 133499069
1-(6-chloro-2-pyridinyl)pyrrolidine-3-carboxamide
CID 107257847
6-bromo-8-chloro-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]quinoline
CID 133437012
6-bromo-8-chloro-2-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]quinoline
CID 133437278
6-(3-carbamoylpiperidin-1-yl)-3-chloropyridine-2-carboxylic acid
CID 43196915
6-bromo-8-chloro-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline
CID 133436211
1-[4-(6-bromo-8-chloroquinolin-2-yl)-1,4-diazepan-1-yl]propan-1-one
CID 133436745
1-(3,5-dichlorophenyl)pyrrolidine-3-carboxamide
CID 117008210
1-(7-chloroquinolin-2-yl)pyrrolidine-3-carboxylic acid
CID 122048451
1-(6-bromo-2-tert-butylpyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 114082384
6-bromo-8-chloro-2-(4-methylsulfonyl-1,4-diazepan-1-yl)quinoline
CID 133436493

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-8-chloroquinolin-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(6-bromo-8-chloroquinolin-2-yl)pyrrolidine-3-carboxamide (CID 133437188) is 1-(6-bromo-8-chloroquinolin-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(6-bromo-8-chloroquinolin-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(6-bromo-8-chloroquinolin-2-yl)pyrrolidine-3-carboxamide is NC(=O)C1CCN(c2ccc3cc(Br)cc(Cl)c3n2)C1.
What is the InChIKey of 1-(6-bromo-8-chloroquinolin-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is VUMNDUAVYABOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClN3O/c15-10-5-8-1-2-12(18-13(8)11(16)6-10)19-4-3-9(7-19)14(17)20/h1-2,5-6,9H,3-4,7H2,(H2,17,20).
What are the key properties of 1-(6-bromo-8-chloroquinolin-2-yl)pyrrolidine-3-carboxamide?
1-(6-bromo-8-chloroquinolin-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 354.64 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-8-chloroquinolin-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 133437188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).