7-bromo-1-methylquinolin-2-one

C10H8BrNO — CID 19379703

IUPAC7-bromo-1-methylquinolin-2-one
SMILESCn1c(=O)ccc2ccc(Br)cc21
InChIInChI=1S/C10H8BrNO/c1-12-9-6-8(11)4-2-7(9)3-5-10(12)13/h2-6H,1H3
InChIKeyNUHIBWXANVPRAN-UHFFFAOYSA-N
MW238.08 g/mol
LogP2.30
Rot. Bonds

About 7-bromo-1-methylquinolin-2-one

7-bromo-1-methylquinolin-2-one (PubChem CID 19379703) has the molecular formula C10H8BrNO and a molecular weight of 238.08 g/mol. Its IUPAC name is 7-bromo-1-methylquinolin-2-one.

Molecular Properties

Compound Name7-bromo-1-methylquinolin-2-one
PubChem CID19379703
Molecular FormulaC10H8BrNO
Molecular Weight238.08 g/mol
Exact Mass236.98
IUPAC Name7-bromo-1-methylquinolin-2-one
SMILESCn1c(=O)ccc2ccc(Br)cc21
InChIInChI=1S/C10H8BrNO/c1-12-9-6-8(11)4-2-7(9)3-5-10(12)13/h2-6H,1H3
InChIKeyNUHIBWXANVPRAN-UHFFFAOYSA-N
XLogP2.30
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.08
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-2-quinolone
CID 11820
1,4-Dimethyl-2-quinolone
CID 97252
3-Bromo-1-methyl-1,2-dihydroquinolin-2-one
CID 268315
4-bromo-N-ethyl-N-phenylbenzamide
CID 838389
(2E)-N-(3-bromophenyl)-3-phenylprop-2-enamide
CID 874919
4-Ethyl-1,3-dimethyl-2(1H)-quinolinone
CID 27048
2(1H)-Quinolinone, 1-ethyl-
CID 104603
7-Bromoquinolin-2(1H)-one
CID 14221025
5-Bromo-1,2-dihydroquinolin-2-one
CID 14221032
7-Bromo-4-methyl-1,2-dihydroquinolin-2-one
CID 293080
N-(4-bromobenzyl)-N-(2,3-dimethylphenyl)acetamide
CID 974986
(2E,4E)-N-(3-bromophenyl)-5-phenylpenta-2,4-dienamide
CID 56640992

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-methylquinolin-2-one?
The IUPAC name of 7-bromo-1-methylquinolin-2-one (CID 19379703) is 7-bromo-1-methylquinolin-2-one.
What is the SMILES notation for 7-bromo-1-methylquinolin-2-one?
The canonical SMILES for 7-bromo-1-methylquinolin-2-one is Cn1c(=O)ccc2ccc(Br)cc21.
What is the InChIKey of 7-bromo-1-methylquinolin-2-one?
The InChIKey is NUHIBWXANVPRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO/c1-12-9-6-8(11)4-2-7(9)3-5-10(12)13/h2-6H,1H3.
What are the key properties of 7-bromo-1-methylquinolin-2-one?
7-bromo-1-methylquinolin-2-one has a molecular weight of 238.08 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-methylquinolin-2-one is sourced from PubChem (CID 19379703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).