8-bromo-N-cyclopropyl-N-methyl-4-oxo-1H-quinoline-3-carboxamide

C14H13BrN2O2 — CID 56792763

IUPAC8-bromo-N-cyclopropyl-N-methyl-4-oxo-1H-quinoline-3-carboxamide
SMILESCN(C(=O)c1c[nH]c2c(Br)cccc2c1=O)C1CC1
InChIInChI=1S/C14H13BrN2O2/c1-17(8-5-6-8)14(19)10-7-16-12-9(13(10)18)3-2-4-11(12)15/h2-4,7-8H,5-6H2,1H3,(H,16,18)
InChIKeyJZZDNDHPLXCPHW-UHFFFAOYSA-N
MW321.17 g/mol
LogP2.53
Rot. Bonds2

About 8-bromo-N-cyclopropyl-N-methyl-4-oxo-1H-quinoline-3-carboxamide

8-bromo-N-cyclopropyl-N-methyl-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 56792763) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 8-bromo-N-cyclopropyl-N-methyl-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name8-bromo-N-cyclopropyl-N-methyl-4-oxo-1H-quinoline-3-carboxamide
PubChem CID56792763
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name8-bromo-N-cyclopropyl-N-methyl-4-oxo-1H-quinoline-3-carboxamide
SMILESCN(C(=O)c1c[nH]c2c(Br)cccc2c1=O)C1CC1
InChIInChI=1S/C14H13BrN2O2/c1-17(8-5-6-8)14(19)10-7-16-12-9(13(10)18)3-2-4-11(12)15/h2-4,7-8H,5-6H2,1H3,(H,16,18)
InChIKeyJZZDNDHPLXCPHW-UHFFFAOYSA-N
XLogP2.53
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-cyclopropyl-N-methyl-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 8-bromo-N-cyclopropyl-N-methyl-4-oxo-1H-quinoline-3-carboxamide (CID 56792763) is 8-bromo-N-cyclopropyl-N-methyl-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 8-bromo-N-cyclopropyl-N-methyl-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 8-bromo-N-cyclopropyl-N-methyl-4-oxo-1H-quinoline-3-carboxamide is CN(C(=O)c1c[nH]c2c(Br)cccc2c1=O)C1CC1.
What is the InChIKey of 8-bromo-N-cyclopropyl-N-methyl-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is JZZDNDHPLXCPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-17(8-5-6-8)14(19)10-7-16-12-9(13(10)18)3-2-4-11(12)15/h2-4,7-8H,5-6H2,1H3,(H,16,18).
What are the key properties of 8-bromo-N-cyclopropyl-N-methyl-4-oxo-1H-quinoline-3-carboxamide?
8-bromo-N-cyclopropyl-N-methyl-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 321.17 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-cyclopropyl-N-methyl-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 56792763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).