N-(3-bromophenyl)-8-methoxy-4-oxo-1H-quinoline-3-carboxamide

C17H13BrN2O3 — CID 43831968

IUPACN-(3-bromophenyl)-8-methoxy-4-oxo-1H-quinoline-3-carboxamide
SMILESCOc1cccc2c(=O)c(C(=O)Nc3cccc(Br)c3)c[nH]c12
InChIInChI=1S/C17H13BrN2O3/c1-23-14-7-3-6-12-15(14)19-9-13(16(12)21)17(22)20-11-5-2-4-10(18)8-11/h2-9H,1H3,(H,19,21)(H,20,22)
InChIKeyBCLRGFOONRIYGL-UHFFFAOYSA-N
MW373.21 g/mol
LogP3.55
Rot. Bonds3

About N-(3-bromophenyl)-8-methoxy-4-oxo-1H-quinoline-3-carboxamide

N-(3-bromophenyl)-8-methoxy-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 43831968) has the molecular formula C17H13BrN2O3 and a molecular weight of 373.21 g/mol. Its IUPAC name is N-(3-bromophenyl)-8-methoxy-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-8-methoxy-4-oxo-1H-quinoline-3-carboxamide
PubChem CID43831968
Molecular FormulaC17H13BrN2O3
Molecular Weight373.21 g/mol
Exact Mass372.01
IUPAC NameN-(3-bromophenyl)-8-methoxy-4-oxo-1H-quinoline-3-carboxamide
SMILESCOc1cccc2c(=O)c(C(=O)Nc3cccc(Br)c3)c[nH]c12
InChIInChI=1S/C17H13BrN2O3/c1-23-14-7-3-6-12-15(14)19-9-13(16(12)21)17(22)20-11-5-2-4-10(18)8-11/h2-9H,1H3,(H,19,21)(H,20,22)
InChIKeyBCLRGFOONRIYGL-UHFFFAOYSA-N
XLogP3.55
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.21
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 4-[(8-methoxy-4-oxo-1H-quinoline-3-carbonyl)amino]benzoate
CID 43831906
8-methoxy-N-(6-methyl-2-pyridinyl)-4-oxo-1H-quinoline-3-carboxamide
CID 43831811
N-(3-bromophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 39849718
N-(3-bromophenyl)-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide
CID 112707523
N-(3-acetamido-4-methoxyphenyl)-6-bromo-8-methyl-4-oxo-1H-quinoline-3-carboxamide
CID 51126405
N-(5-acetamido-2-methoxyphenyl)-8-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 51053181
N-(3-bromophenyl)-2-(difluoromethoxy)-3-methoxybenzamide
CID 51148287
N-[3-(dimethylamino)propyl]-8-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 91641164
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-8-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43831878
3-(2-ethylbutanoyl)-8-methoxy-1H-quinolin-4-one
CID 10333492
5-bromo-N-(3-bromophenyl)-2-methoxy-3-methylbenzamide
CID 3979736
N-(2-methoxyphenyl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
CID 42589534

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-8-methoxy-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-(3-bromophenyl)-8-methoxy-4-oxo-1H-quinoline-3-carboxamide (CID 43831968) is N-(3-bromophenyl)-8-methoxy-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-8-methoxy-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-8-methoxy-4-oxo-1H-quinoline-3-carboxamide is COc1cccc2c(=O)c(C(=O)Nc3cccc(Br)c3)c[nH]c12.
What is the InChIKey of N-(3-bromophenyl)-8-methoxy-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is BCLRGFOONRIYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O3/c1-23-14-7-3-6-12-15(14)19-9-13(16(12)21)17(22)20-11-5-2-4-10(18)8-11/h2-9H,1H3,(H,19,21)(H,20,22).
What are the key properties of N-(3-bromophenyl)-8-methoxy-4-oxo-1H-quinoline-3-carboxamide?
N-(3-bromophenyl)-8-methoxy-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 373.21 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-8-methoxy-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 43831968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).