3,4-dihydroxy-1H-quinolin-2-one

C9H7NO3 — CID 54677846

IUPAC3,4-dihydroxy-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2c(O)c1O
InChIInChI=1S/C9H7NO3/c11-7-5-3-1-2-4-6(5)10-9(13)8(7)12/h1-4,12H,(H2,10,11,13)
InChIKeyMJORMRFQFZHIGF-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.94
Rot. Bonds

About 3,4-dihydroxy-1H-quinolin-2-one

3,4-dihydroxy-1H-quinolin-2-one (PubChem CID 54677846) has the molecular formula C9H7NO3 and a molecular weight of 177.16 g/mol. Its IUPAC name is 3,4-dihydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3,4-dihydroxy-1H-quinolin-2-one
PubChem CID54677846
Molecular FormulaC9H7NO3
Molecular Weight177.16 g/mol
Exact Mass177.04
IUPAC Name3,4-dihydroxy-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2c(O)c1O
InChIInChI=1S/C9H7NO3/c11-7-5-3-1-2-4-6(5)10-9(13)8(7)12/h1-4,12H,(H2,10,11,13)
InChIKeyMJORMRFQFZHIGF-UHFFFAOYSA-N
XLogP0.94
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-Dihydroxyquinoline
CID 54680871
4-Hydroxy-N-methylcarbostyril
CID 54686436
3-Hydroxyquinolin-2(1H)-one
CID 818159
3-Quinolinecarboxamide, 1,2-dihydro-N-hexyl-4-hydroxy-2-oxo-
CID 54677800
N-benzyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54680441
1-Benzyl-4-hydroxyquinolin-2(1H)-one
CID 54680863
Flindersine
CID 68230
3-Quinolinecarboxamide, 1,2-dihydro-4-hydroxy-N-(1-methylethyl)-2-oxo-
CID 54679386
4-Hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonitrile
CID 54694513
2-(4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)-N,N-bis(3-methylbutyl)acetamide
CID 54688356
4-Hydroxy-3-methylquinolin-2(1H)-one
CID 54678416
2(1H)-Quinolinone, 4-hydroxy-3-(phenylazo)-
CID 135666408

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-1H-quinolin-2-one?
The IUPAC name of 3,4-dihydroxy-1H-quinolin-2-one (CID 54677846) is 3,4-dihydroxy-1H-quinolin-2-one.
What is the SMILES notation for 3,4-dihydroxy-1H-quinolin-2-one?
The canonical SMILES for 3,4-dihydroxy-1H-quinolin-2-one is O=c1[nH]c2ccccc2c(O)c1O.
What is the InChIKey of 3,4-dihydroxy-1H-quinolin-2-one?
The InChIKey is MJORMRFQFZHIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3/c11-7-5-3-1-2-4-6(5)10-9(13)8(7)12/h1-4,12H,(H2,10,11,13).
What are the key properties of 3,4-dihydroxy-1H-quinolin-2-one?
3,4-dihydroxy-1H-quinolin-2-one has a molecular weight of 177.16 g/mol, XLogP of 0.94, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-1H-quinolin-2-one is sourced from PubChem (CID 54677846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).