8-bromo-4-oxo-1H-quinoline-3-carboxamide

C10H7BrN2O2 — CID 151043662

IUPAC8-bromo-4-oxo-1H-quinoline-3-carboxamide
SMILESNC(=O)c1c[nH]c2c(Br)cccc2c1=O
InChIInChI=1S/C10H7BrN2O2/c11-7-3-1-2-5-8(7)13-4-6(9(5)14)10(12)15/h1-4H,(H2,12,15)(H,13,14)
InChIKeyMCPSMXUHSVEOSR-UHFFFAOYSA-N
MW267.08 g/mol
LogP1.39
Rot. Bonds1

About 8-bromo-4-oxo-1H-quinoline-3-carboxamide

8-bromo-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 151043662) has the molecular formula C10H7BrN2O2 and a molecular weight of 267.08 g/mol. Its IUPAC name is 8-bromo-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name8-bromo-4-oxo-1H-quinoline-3-carboxamide
PubChem CID151043662
Molecular FormulaC10H7BrN2O2
Molecular Weight267.08 g/mol
Exact Mass265.97
IUPAC Name8-bromo-4-oxo-1H-quinoline-3-carboxamide
SMILESNC(=O)c1c[nH]c2c(Br)cccc2c1=O
InChIInChI=1S/C10H7BrN2O2/c11-7-3-1-2-5-8(7)13-4-6(9(5)14)10(12)15/h1-4H,(H2,12,15)(H,13,14)
InChIKeyMCPSMXUHSVEOSR-UHFFFAOYSA-N
XLogP1.39
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.08
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

fluoro 8-bromo-4-oxo-1H-quinoline-3-carboxylate
CID 142605157
7-bromo-1H-indole-3-carbothioamide
CID 171775732
8-bromo-N-cyclopropyl-N-methyl-4-oxo-1H-quinoline-3-carboxamide
CID 56792763
(7-bromo-1H-indol-3-yl) carbamate
CID 175391103
ethyl 8-bromo-4,9-dioxo-1H-cyclohepta[b]pyridine-3-carboxylate
CID 13121315
1-(7-bromo-1H-indol-3-yl)-2-chloroethanone
CID 28806672
8-bromo-3-methyl-1H-quinolin-4-one;ethane
CID 144929790
1-(7-bromo-1H-indol-3-yl)butan-1-one
CID 175665969
methyl 3-bromo-4-oxo-1H-quinoline-8-carboxylate
CID 71711059
(3E)-7-bromo-N-hydroxy-1H-indole-3-carboximidoyl chloride
CID 137028251
2-(7-bromo-1H-indol-3-yl)-2-methylpropanoic acid
CID 82502243
7-nitro-1H-indole-3-carboxamide
CID 57287877

Frequently Asked Questions

What is the IUPAC name of 8-bromo-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 8-bromo-4-oxo-1H-quinoline-3-carboxamide (CID 151043662) is 8-bromo-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 8-bromo-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 8-bromo-4-oxo-1H-quinoline-3-carboxamide is NC(=O)c1c[nH]c2c(Br)cccc2c1=O.
What is the InChIKey of 8-bromo-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is MCPSMXUHSVEOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O2/c11-7-3-1-2-5-8(7)13-4-6(9(5)14)10(12)15/h1-4H,(H2,12,15)(H,13,14).
What are the key properties of 8-bromo-4-oxo-1H-quinoline-3-carboxamide?
8-bromo-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 267.08 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 151043662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).