6-bromo-7-methoxy-1-methylquinolin-4-one

C11H10BrNO2 — CID 170985968

IUPAC6-bromo-7-methoxy-1-methylquinolin-4-one
SMILESCOc1cc2c(cc1Br)c(=O)ccn2C
InChIInChI=1S/C11H10BrNO2/c1-13-4-3-10(14)7-5-8(12)11(15-2)6-9(7)13/h3-6H,1-2H3
InChIKeyWTTRMXMDADAOCJ-UHFFFAOYSA-N
MW268.11 g/mol
LogP2.31
Rot. Bonds1

About 6-bromo-7-methoxy-1-methylquinolin-4-one

6-bromo-7-methoxy-1-methylquinolin-4-one (PubChem CID 170985968) has the molecular formula C11H10BrNO2 and a molecular weight of 268.11 g/mol. Its IUPAC name is 6-bromo-7-methoxy-1-methylquinolin-4-one.

Molecular Properties

Compound Name6-bromo-7-methoxy-1-methylquinolin-4-one
PubChem CID170985968
Molecular FormulaC11H10BrNO2
Molecular Weight268.11 g/mol
Exact Mass266.99
IUPAC Name6-bromo-7-methoxy-1-methylquinolin-4-one
SMILESCOc1cc2c(cc1Br)c(=O)ccn2C
InChIInChI=1S/C11H10BrNO2/c1-13-4-3-10(14)7-5-8(12)11(15-2)6-9(7)13/h3-6H,1-2H3
InChIKeyWTTRMXMDADAOCJ-UHFFFAOYSA-N
XLogP2.31
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-1-methylquinolin-4-one
CID 1377385
7-amino-1-methylquinolin-4-one
CID 10329797
6-bromo-7-methoxybenzo[7]annulen-9-one
CID 121011768
2,5-dibromo-4,7-dimethoxycyclohepta-2,4,6-trien-1-one
CID 14266950
1-methyl-4-oxoquinoline-7-sulfonyl chloride
CID 102028826
4-bromo-6-(methoxymethyl)-1-methylindole
CID 163231324
(4-methoxy-1-methylindol-6-yl)methanamine
CID 82603456
4-(3-bromo-4,5-dimethoxyphenyl)-7-methyl-3,4-dihydropyrano[2,3-e]indol-2-one
CID 10001933
2-(4-methoxy-1-methylindol-6-yl)propan-2-ol
CID 117312750
methyl 1-(2,4-dibromo-5-methoxyphenyl)-4-oxopyridazine-3-carboxylate
CID 103416932
7-hydroxy-8-methoxy-1-methylquinolin-4-one
CID 14317101
1,4-dibromo-2-chloro-5-methoxybenzene
CID 50997851

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-methoxy-1-methylquinolin-4-one?
The IUPAC name of 6-bromo-7-methoxy-1-methylquinolin-4-one (CID 170985968) is 6-bromo-7-methoxy-1-methylquinolin-4-one.
What is the SMILES notation for 6-bromo-7-methoxy-1-methylquinolin-4-one?
The canonical SMILES for 6-bromo-7-methoxy-1-methylquinolin-4-one is COc1cc2c(cc1Br)c(=O)ccn2C.
What is the InChIKey of 6-bromo-7-methoxy-1-methylquinolin-4-one?
The InChIKey is WTTRMXMDADAOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2/c1-13-4-3-10(14)7-5-8(12)11(15-2)6-9(7)13/h3-6H,1-2H3.
What are the key properties of 6-bromo-7-methoxy-1-methylquinolin-4-one?
6-bromo-7-methoxy-1-methylquinolin-4-one has a molecular weight of 268.11 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-methoxy-1-methylquinolin-4-one is sourced from PubChem (CID 170985968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).