3,4-dihydroxy-1-methylquinolin-2-one

C10H9NO3 — CID 54695768

IUPAC3,4-dihydroxy-1-methylquinolin-2-one
SMILESCn1c(=O)c(O)c(O)c2ccccc21
InChIInChI=1S/C10H9NO3/c1-11-7-5-3-2-4-6(7)8(12)9(13)10(11)14/h2-5,12-13H,1H3
InChIKeyBDLJEQMXDNMETQ-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.95
Rot. Bonds

About 3,4-dihydroxy-1-methylquinolin-2-one

3,4-dihydroxy-1-methylquinolin-2-one (PubChem CID 54695768) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 3,4-dihydroxy-1-methylquinolin-2-one.

Molecular Properties

Compound Name3,4-dihydroxy-1-methylquinolin-2-one
PubChem CID54695768
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name3,4-dihydroxy-1-methylquinolin-2-one
SMILESCn1c(=O)c(O)c(O)c2ccccc21
InChIInChI=1S/C10H9NO3/c1-11-7-5-3-2-4-6(7)8(12)9(13)10(11)14/h2-5,12-13H,1H3
InChIKeyBDLJEQMXDNMETQ-UHFFFAOYSA-N
XLogP0.95
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Roquinimex
CID 54676478
2,4-Dihydroxyquinoline
CID 54680871
3-Quinolinecarboxylic acid, 1,2-dihydro-4-hydroxy-1-methyl-2-oxo-, ethyl ester
CID 54682929
4-Hydroxy-N-methylcarbostyril
CID 54686436
3-Quinolinecarboxamide, 1,2-dihydro-N-hexyl-4-hydroxy-2-oxo-
CID 54677800
Zanthobisquinolone
CID 54688597
1-Benzyl-4-hydroxyquinolin-2(1H)-one
CID 54680863
4-methoxy-N-methyl-2-quinolone
CID 182073
4-Hydroxy-1-methyl-3-phenyl-1,2-dihydroquinolin-2-one
CID 54680431
3-Quinolinecarboxamide, 1,2-dihydro-4-hydroxy-N-(1-methylethyl)-2-oxo-
CID 54679386
Ethyl 1-ethyl-1,2-dihydro-4-hydroxy-2-oxo-3-quinolinecarboxylate
CID 54680568
2-(4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)-N,N-bis(3-methylbutyl)acetamide
CID 54688356

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-1-methylquinolin-2-one?
The IUPAC name of 3,4-dihydroxy-1-methylquinolin-2-one (CID 54695768) is 3,4-dihydroxy-1-methylquinolin-2-one.
What is the SMILES notation for 3,4-dihydroxy-1-methylquinolin-2-one?
The canonical SMILES for 3,4-dihydroxy-1-methylquinolin-2-one is Cn1c(=O)c(O)c(O)c2ccccc21.
What is the InChIKey of 3,4-dihydroxy-1-methylquinolin-2-one?
The InChIKey is BDLJEQMXDNMETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-11-7-5-3-2-4-6(7)8(12)9(13)10(11)14/h2-5,12-13H,1H3.
What are the key properties of 3,4-dihydroxy-1-methylquinolin-2-one?
3,4-dihydroxy-1-methylquinolin-2-one has a molecular weight of 191.19 g/mol, XLogP of 0.95, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-1-methylquinolin-2-one is sourced from PubChem (CID 54695768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).