4-hydroxy-3,7-dimethoxy-1-methylquinolin-2-one

C12H13NO4 — CID 54737447

IUPAC4-hydroxy-3,7-dimethoxy-1-methylquinolin-2-one
SMILESCOc1ccc2c(O)c(OC)c(=O)n(C)c2c1
InChIInChI=1S/C12H13NO4/c1-13-9-6-7(16-2)4-5-8(9)10(14)11(17-3)12(13)15/h4-6,14H,1-3H3
InChIKeyYSCWDFSXKPKARV-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.26
Rot. Bonds2

About 4-hydroxy-3,7-dimethoxy-1-methylquinolin-2-one

4-hydroxy-3,7-dimethoxy-1-methylquinolin-2-one (PubChem CID 54737447) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is 4-hydroxy-3,7-dimethoxy-1-methylquinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-3,7-dimethoxy-1-methylquinolin-2-one
PubChem CID54737447
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name4-hydroxy-3,7-dimethoxy-1-methylquinolin-2-one
SMILESCOc1ccc2c(O)c(OC)c(=O)n(C)c2c1
InChIInChI=1S/C12H13NO4/c1-13-9-6-7(16-2)4-5-8(9)10(14)11(17-3)12(13)15/h4-6,14H,1-3H3
InChIKeyYSCWDFSXKPKARV-UHFFFAOYSA-N
XLogP1.26
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-3-methoxy-1-methyl-7-propan-2-yloxyquinolin-2-one
CID 139717841
3,4,7-trimethoxy-1-methylquinolin-2-one
CID 20676861
3-butoxy-4-hydroxy-7-methoxy-1-methylquinolin-2-one
CID 139717157
3,8-dimethoxy-5-methylphenanthridin-6-one
CID 164597930
3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-hydroxy-7-methoxy-1-methylquinolin-2-one
CID 139717305
3,4-dimethoxy-1-methyl-7-propan-2-yloxyquinolin-2-one
CID 139717812
4-butoxy-3-hexoxy-7-methoxy-1-methylquinolin-2-one
CID 139717572
3-(aminomethyl)-7-methoxy-1,4-dimethylquinolin-2-one
CID 84626906
3,9-dimethoxy-5-methyl-[1]benzofuro[3,2-c]quinolin-6-one
CID 2794540
7-methoxy-1-methyl-4-oxoquinoline-2-carboxylic acid
CID 82243051
(E)-3-(7-methoxy-1,4-dimethyl-2-oxoquinolin-3-yl)prop-2-enoic acid
CID 84641860
2-(7-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid
CID 117263069

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,7-dimethoxy-1-methylquinolin-2-one?
The IUPAC name of 4-hydroxy-3,7-dimethoxy-1-methylquinolin-2-one (CID 54737447) is 4-hydroxy-3,7-dimethoxy-1-methylquinolin-2-one.
What is the SMILES notation for 4-hydroxy-3,7-dimethoxy-1-methylquinolin-2-one?
The canonical SMILES for 4-hydroxy-3,7-dimethoxy-1-methylquinolin-2-one is COc1ccc2c(O)c(OC)c(=O)n(C)c2c1.
What is the InChIKey of 4-hydroxy-3,7-dimethoxy-1-methylquinolin-2-one?
The InChIKey is YSCWDFSXKPKARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c1-13-9-6-7(16-2)4-5-8(9)10(14)11(17-3)12(13)15/h4-6,14H,1-3H3.
What are the key properties of 4-hydroxy-3,7-dimethoxy-1-methylquinolin-2-one?
4-hydroxy-3,7-dimethoxy-1-methylquinolin-2-one has a molecular weight of 235.24 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,7-dimethoxy-1-methylquinolin-2-one is sourced from PubChem (CID 54737447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).