3-[(4-bromophenyl)methyl]-1-methylquinolin-2-one

C17H14BrNO — CID 166443269

IUPAC3-[(4-bromophenyl)methyl]-1-methylquinolin-2-one
SMILESCn1c(=O)c(Cc2ccc(Br)cc2)cc2ccccc21
InChIInChI=1S/C17H14BrNO/c1-19-16-5-3-2-4-13(16)11-14(17(19)20)10-12-6-8-15(18)9-7-12/h2-9,11H,10H2,1H3
InChIKeyLQGXMKUBDPWPOL-UHFFFAOYSA-N
MW328.21 g/mol
LogP3.89
Rot. Bonds2

About 3-[(4-bromophenyl)methyl]-1-methylquinolin-2-one

3-[(4-bromophenyl)methyl]-1-methylquinolin-2-one (PubChem CID 166443269) has the molecular formula C17H14BrNO and a molecular weight of 328.21 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methyl]-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-[(4-bromophenyl)methyl]-1-methylquinolin-2-one
PubChem CID166443269
Molecular FormulaC17H14BrNO
Molecular Weight328.21 g/mol
Exact Mass327.03
IUPAC Name3-[(4-bromophenyl)methyl]-1-methylquinolin-2-one
SMILESCn1c(=O)c(Cc2ccc(Br)cc2)cc2ccccc21
InChIInChI=1S/C17H14BrNO/c1-19-16-5-3-2-4-13(16)11-14(17(19)20)10-12-6-8-15(18)9-7-12/h2-9,11H,10H2,1H3
InChIKeyLQGXMKUBDPWPOL-UHFFFAOYSA-N
XLogP3.89
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methyl-2H-quinolin-1-yl)-phenylmethanone
CID 2998966
(E)-1-(4-bromophenyl)-3-[4-(diethylamino)phenyl]prop-2-en-1-one
CID 5379238
3-Bromo-1-methyl-1,2-dihydroquinolin-2-one
CID 268315
4-bromo-N-phenylbenzamide
CID 690966
2-bromo-N-(2-methylphenyl)benzamide
CID 710592
4-bromo-N-ethyl-N-phenylbenzamide
CID 838389
1-(3-Bromobenzoyl)-1,2,3,4-tetrahydroquinoline
CID 789110
(E)-3-(4-bromophenyl)-1-[4-(dimethylamino)phenyl]prop-2-en-1-one
CID 5829459
1-[1-(4-Bromo-benzoyl)-piperidin-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 14969534
1-Benzyl-4-methyl-1H-quinolin-2-one
CID 1480959
1-methyl-4-phenylquinolin-2(1H)-one
CID 684365
Quinoline, 1,2-dihydro-1-benzoyl-
CID 99682

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methyl]-1-methylquinolin-2-one?
The IUPAC name of 3-[(4-bromophenyl)methyl]-1-methylquinolin-2-one (CID 166443269) is 3-[(4-bromophenyl)methyl]-1-methylquinolin-2-one.
What is the SMILES notation for 3-[(4-bromophenyl)methyl]-1-methylquinolin-2-one?
The canonical SMILES for 3-[(4-bromophenyl)methyl]-1-methylquinolin-2-one is Cn1c(=O)c(Cc2ccc(Br)cc2)cc2ccccc21.
What is the InChIKey of 3-[(4-bromophenyl)methyl]-1-methylquinolin-2-one?
The InChIKey is LQGXMKUBDPWPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO/c1-19-16-5-3-2-4-13(16)11-14(17(19)20)10-12-6-8-15(18)9-7-12/h2-9,11H,10H2,1H3.
What are the key properties of 3-[(4-bromophenyl)methyl]-1-methylquinolin-2-one?
3-[(4-bromophenyl)methyl]-1-methylquinolin-2-one has a molecular weight of 328.21 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methyl]-1-methylquinolin-2-one is sourced from PubChem (CID 166443269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).