4-[(2-bromophenyl)methoxy]-1-methylquinolin-2-one

C17H14BrNO2 — CID 12031180

IUPAC4-[(2-bromophenyl)methoxy]-1-methylquinolin-2-one
SMILESCn1c(=O)cc(OCc2ccccc2Br)c2ccccc21
InChIInChI=1S/C17H14BrNO2/c1-19-15-9-5-3-7-13(15)16(10-17(19)20)21-11-12-6-2-4-8-14(12)18/h2-10H,11H2,1H3
InChIKeyHPLMWSYHEYCVFS-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.88
Rot. Bonds3

About 4-[(2-bromophenyl)methoxy]-1-methylquinolin-2-one

4-[(2-bromophenyl)methoxy]-1-methylquinolin-2-one (PubChem CID 12031180) has the molecular formula C17H14BrNO2 and a molecular weight of 344.21 g/mol. Its IUPAC name is 4-[(2-bromophenyl)methoxy]-1-methylquinolin-2-one.

Molecular Properties

Compound Name4-[(2-bromophenyl)methoxy]-1-methylquinolin-2-one
PubChem CID12031180
Molecular FormulaC17H14BrNO2
Molecular Weight344.21 g/mol
Exact Mass343.02
IUPAC Name4-[(2-bromophenyl)methoxy]-1-methylquinolin-2-one
SMILESCn1c(=O)cc(OCc2ccccc2Br)c2ccccc21
InChIInChI=1S/C17H14BrNO2/c1-19-15-9-5-3-7-13(15)16(10-17(19)20)21-11-12-6-2-4-8-14(12)18/h2-10H,11H2,1H3
InChIKeyHPLMWSYHEYCVFS-UHFFFAOYSA-N
XLogP3.88
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methyl-2-oxoquinolin-4-yl) 2-bromobenzoate
CID 10808284
1-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]quinolin-2-one
CID 6622311
N-[(4-ethylphenyl)methyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide
CID 6622314
(1-methyl-2-oxoquinolin-4-yl) N-methylcarbamate
CID 2786360
4-[(2-bromophenyl)methoxy]-2-chloroquinoline
CID 42597758
1-methyl-4-[[1-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]triazol-4-yl]methoxy]quinolin-2-one
CID 57340831
N-[(2,4-dimethoxyphenyl)methyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide
CID 20861851
3-[(2-bromo-5-methoxyphenyl)methoxy]-1-methylquinolin-2-one
CID 11406181
N-(5-chloro-2-pyridinyl)-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide
CID 20861847
4-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienoxy]-1-methylquinolin-2-one
CID 177460214
4-[(2-bromophenyl)methoxy]-2,5-dimethylaniline
CID 55158064
4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethoxy]-1-methylquinolin-2-one
CID 3244800

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenyl)methoxy]-1-methylquinolin-2-one?
The IUPAC name of 4-[(2-bromophenyl)methoxy]-1-methylquinolin-2-one (CID 12031180) is 4-[(2-bromophenyl)methoxy]-1-methylquinolin-2-one.
What is the SMILES notation for 4-[(2-bromophenyl)methoxy]-1-methylquinolin-2-one?
The canonical SMILES for 4-[(2-bromophenyl)methoxy]-1-methylquinolin-2-one is Cn1c(=O)cc(OCc2ccccc2Br)c2ccccc21.
What is the InChIKey of 4-[(2-bromophenyl)methoxy]-1-methylquinolin-2-one?
The InChIKey is HPLMWSYHEYCVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO2/c1-19-15-9-5-3-7-13(15)16(10-17(19)20)21-11-12-6-2-4-8-14(12)18/h2-10H,11H2,1H3.
What are the key properties of 4-[(2-bromophenyl)methoxy]-1-methylquinolin-2-one?
4-[(2-bromophenyl)methoxy]-1-methylquinolin-2-one has a molecular weight of 344.21 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromophenyl)methoxy]-1-methylquinolin-2-one is sourced from PubChem (CID 12031180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).