3-bromo-7-methoxy-2-methyl-1H-quinolin-4-one

C11H10BrNO2 — CID 44531217

IUPAC3-bromo-7-methoxy-2-methyl-1H-quinolin-4-one
SMILESCOc1ccc2c(=O)c(Br)c(C)[nH]c2c1
InChIInChI=1S/C11H10BrNO2/c1-6-10(12)11(14)8-4-3-7(15-2)5-9(8)13-6/h3-5H,1-2H3,(H,13,14)
InChIKeyKUIKNYSGQSWIDU-UHFFFAOYSA-N
MW268.11 g/mol
LogP2.61
Rot. Bonds1

About 3-bromo-7-methoxy-2-methyl-1H-quinolin-4-one

3-bromo-7-methoxy-2-methyl-1H-quinolin-4-one (PubChem CID 44531217) has the molecular formula C11H10BrNO2 and a molecular weight of 268.11 g/mol. Its IUPAC name is 3-bromo-7-methoxy-2-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-bromo-7-methoxy-2-methyl-1H-quinolin-4-one
PubChem CID44531217
Molecular FormulaC11H10BrNO2
Molecular Weight268.11 g/mol
Exact Mass266.99
IUPAC Name3-bromo-7-methoxy-2-methyl-1H-quinolin-4-one
SMILESCOc1ccc2c(=O)c(Br)c(C)[nH]c2c1
InChIInChI=1S/C11H10BrNO2/c1-6-10(12)11(14)8-4-3-7(15-2)5-9(8)13-6/h3-5H,1-2H3,(H,13,14)
InChIKeyKUIKNYSGQSWIDU-UHFFFAOYSA-N
XLogP2.61
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-Methoxy-1-methyl-2-phenyl-4(1H)-quinolinone
CID 253834
2-(4-Methoxyphenyl)-4-quinolinol
CID 9547801
4-methoxy-N-(3-methoxyphenyl)benzamide
CID 687087
7-Methoxy-2-phenyl-quinolin-4-ol
CID 289743
2-bromo-N-(3-methoxyphenyl)benzamide
CID 795409
6-methoxy-2,3,4,10-tetrahydro-1H-acridin-9-one
CID 56676627
N-(2-ethylphenyl)-4-methoxybenzamide
CID 710654
6-Methoxyisatin
CID 10374972
N-(4-Bromophenyl)-4-methoxybenzamide
CID 346051
ethyl 2-(3-bromophenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate
CID 71460682
6-fluoro-7-methoxy-2-methyl-3-phenyl-1H-quinolin-4-one
CID 49781241
6-bromo-7-methoxy-2-methyl-3-phenyl-1H-quinolin-4-one
CID 49781243

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-methoxy-2-methyl-1H-quinolin-4-one?
The IUPAC name of 3-bromo-7-methoxy-2-methyl-1H-quinolin-4-one (CID 44531217) is 3-bromo-7-methoxy-2-methyl-1H-quinolin-4-one.
What is the SMILES notation for 3-bromo-7-methoxy-2-methyl-1H-quinolin-4-one?
The canonical SMILES for 3-bromo-7-methoxy-2-methyl-1H-quinolin-4-one is COc1ccc2c(=O)c(Br)c(C)[nH]c2c1.
What is the InChIKey of 3-bromo-7-methoxy-2-methyl-1H-quinolin-4-one?
The InChIKey is KUIKNYSGQSWIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2/c1-6-10(12)11(14)8-4-3-7(15-2)5-9(8)13-6/h3-5H,1-2H3,(H,13,14).
What are the key properties of 3-bromo-7-methoxy-2-methyl-1H-quinolin-4-one?
3-bromo-7-methoxy-2-methyl-1H-quinolin-4-one has a molecular weight of 268.11 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-methoxy-2-methyl-1H-quinolin-4-one is sourced from PubChem (CID 44531217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).