1-(4-bromobenzoyl)-6-methyl-2,3-dihydroquinolin-4-one

C17H14BrNO2 — CID 110634836

IUPAC1-(4-bromobenzoyl)-6-methyl-2,3-dihydroquinolin-4-one
SMILESCc1ccc2c(c1)C(=O)CCN2C(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H14BrNO2/c1-11-2-7-15-14(10-11)16(20)8-9-19(15)17(21)12-3-5-13(18)6-4-12/h2-7,10H,8-9H2,1H3
InChIKeyCHMQXCLHPLIUAO-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.99
Rot. Bonds1

About 1-(4-bromobenzoyl)-6-methyl-2,3-dihydroquinolin-4-one

1-(4-bromobenzoyl)-6-methyl-2,3-dihydroquinolin-4-one (PubChem CID 110634836) has the molecular formula C17H14BrNO2 and a molecular weight of 344.21 g/mol. Its IUPAC name is 1-(4-bromobenzoyl)-6-methyl-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-(4-bromobenzoyl)-6-methyl-2,3-dihydroquinolin-4-one
PubChem CID110634836
Molecular FormulaC17H14BrNO2
Molecular Weight344.21 g/mol
Exact Mass343.02
IUPAC Name1-(4-bromobenzoyl)-6-methyl-2,3-dihydroquinolin-4-one
SMILESCc1ccc2c(c1)C(=O)CCN2C(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H14BrNO2/c1-11-2-7-15-14(10-11)16(20)8-9-19(15)17(21)12-3-5-13(18)6-4-12/h2-7,10H,8-9H2,1H3
InChIKeyCHMQXCLHPLIUAO-UHFFFAOYSA-N
XLogP3.99
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-1-[4-(trifluoromethyl)benzoyl]-2,3-dihydroquinolin-4-one
CID 110634868
1-(4-aminobenzoyl)-7-methyl-3,4-dihydro-2H-1-benzazepin-5-one
CID 19607937
6-methyl-1-(pyridine-3-carbonyl)-2,3-dihydroquinolin-4-one
CID 110634863
6-methyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroquinolin-4-one
CID 110634843
ethyl 6-methyl-4-oxo-2,3-dihydroquinoline-1-carboxylate
CID 110406411
1-(cyclopropanecarbonyl)-6-methyl-2,3-dihydroquinolin-4-one
CID 110634817
(5-methyl-2,3-dihydroindol-1-yl)-(4-methylphenyl)methanone
CID 20793206
1-(2-ethylbutanoyl)-6-methyl-2,3-dihydroquinolin-4-one
CID 110634824
1-[1-(4-bromobenzoyl)-2,3-dihydroindol-5-yl]ethanone
CID 110737345
1-(3-bromo-4-fluorobenzoyl)-2,3-dihydroquinolin-4-one
CID 107951278
(7-bromo-2,3-dihydro-1,4-benzoxazin-4-yl)-(4-methylphenyl)methanone
CID 84609318
6-methyl-1-(3-phenylpropanoyl)-2,3-dihydroquinolin-4-one
CID 110634848

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromobenzoyl)-6-methyl-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-(4-bromobenzoyl)-6-methyl-2,3-dihydroquinolin-4-one (CID 110634836) is 1-(4-bromobenzoyl)-6-methyl-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-(4-bromobenzoyl)-6-methyl-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-(4-bromobenzoyl)-6-methyl-2,3-dihydroquinolin-4-one is Cc1ccc2c(c1)C(=O)CCN2C(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromobenzoyl)-6-methyl-2,3-dihydroquinolin-4-one?
The InChIKey is CHMQXCLHPLIUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO2/c1-11-2-7-15-14(10-11)16(20)8-9-19(15)17(21)12-3-5-13(18)6-4-12/h2-7,10H,8-9H2,1H3.
What are the key properties of 1-(4-bromobenzoyl)-6-methyl-2,3-dihydroquinolin-4-one?
1-(4-bromobenzoyl)-6-methyl-2,3-dihydroquinolin-4-one has a molecular weight of 344.21 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromobenzoyl)-6-methyl-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 110634836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).