1-[(2-bromo-5-methoxyphenyl)methyl]-3,4-dihydroquinolin-2-one

C17H16BrNO2 — CID 65326077

IUPAC1-[(2-bromo-5-methoxyphenyl)methyl]-3,4-dihydroquinolin-2-one
SMILESCOc1ccc(Br)c(CN2C(=O)CCc3ccccc32)c1
InChIInChI=1S/C17H16BrNO2/c1-21-14-7-8-15(18)13(10-14)11-19-16-5-3-2-4-12(16)6-9-17(19)20/h2-5,7-8,10H,6,9,11H2,1H3
InChIKeyUCDMYASNJXOCAW-UHFFFAOYSA-N
MW346.22 g/mol
LogP3.94
Rot. Bonds3

About 1-[(2-bromo-5-methoxyphenyl)methyl]-3,4-dihydroquinolin-2-one

1-[(2-bromo-5-methoxyphenyl)methyl]-3,4-dihydroquinolin-2-one (PubChem CID 65326077) has the molecular formula C17H16BrNO2 and a molecular weight of 346.22 g/mol. Its IUPAC name is 1-[(2-bromo-5-methoxyphenyl)methyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[(2-bromo-5-methoxyphenyl)methyl]-3,4-dihydroquinolin-2-one
PubChem CID65326077
Molecular FormulaC17H16BrNO2
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC Name1-[(2-bromo-5-methoxyphenyl)methyl]-3,4-dihydroquinolin-2-one
SMILESCOc1ccc(Br)c(CN2C(=O)CCc3ccccc32)c1
InChIInChI=1S/C17H16BrNO2/c1-21-14-7-8-15(18)13(10-14)11-19-16-5-3-2-4-12(16)6-9-17(19)20/h2-5,7-8,10H,6,9,11H2,1H3
InChIKeyUCDMYASNJXOCAW-UHFFFAOYSA-N
XLogP3.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-bromo-5-methoxyphenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79180750
1-[[3-methoxy-5-(4-methylpiperazin-1-yl)phenyl]methyl]-3,4-dihydroquinolin-2-one
CID 10248285
1-[(4-amino-2-fluorophenyl)methyl]-3,4-dihydroquinolin-2-one
CID 64769062
1-(hydroxymethyl)-7-methoxy-3,4-dihydroquinolin-2-one
CID 135138136
1-ethyl-3,4-dihydroquinolin-2-one
CID 14580225
1-[(2-methoxy-3-piperazin-1-ylphenyl)methyl]-3,4-dihydroquinolin-2-one
CID 10247389
1-[(2-aminophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 43342817
2-(7-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)acetaldehyde
CID 153165592
1-(4-bromobutyl)-6-methoxy-3,4-dihydroquinolin-2-one
CID 67152877
1-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one
CID 22548627
1-[(2-bromo-5-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 65326183
5-methyl-4-[(2-oxo-3,4-dihydroquinolin-1-yl)methyl]furan-2-carboxylic acid
CID 62273109

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-5-methoxyphenyl)methyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[(2-bromo-5-methoxyphenyl)methyl]-3,4-dihydroquinolin-2-one (CID 65326077) is 1-[(2-bromo-5-methoxyphenyl)methyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[(2-bromo-5-methoxyphenyl)methyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[(2-bromo-5-methoxyphenyl)methyl]-3,4-dihydroquinolin-2-one is COc1ccc(Br)c(CN2C(=O)CCc3ccccc32)c1.
What is the InChIKey of 1-[(2-bromo-5-methoxyphenyl)methyl]-3,4-dihydroquinolin-2-one?
The InChIKey is UCDMYASNJXOCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO2/c1-21-14-7-8-15(18)13(10-14)11-19-16-5-3-2-4-12(16)6-9-17(19)20/h2-5,7-8,10H,6,9,11H2,1H3.
What are the key properties of 1-[(2-bromo-5-methoxyphenyl)methyl]-3,4-dihydroquinolin-2-one?
1-[(2-bromo-5-methoxyphenyl)methyl]-3,4-dihydroquinolin-2-one has a molecular weight of 346.22 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-5-methoxyphenyl)methyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 65326077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).