3-amino-7-hydroxy-1H-quinolin-4-one

C9H8N2O2 — CID 115014622

IUPAC3-amino-7-hydroxy-1H-quinolin-4-one
SMILESNc1c[nH]c2cc(O)ccc2c1=O
InChIInChI=1S/C9H8N2O2/c10-7-4-11-8-3-5(12)1-2-6(8)9(7)13/h1-4,12H,10H2,(H,11,13)
InChIKeySTTKJHSVPDKHIB-UHFFFAOYSA-N
MW176.17 g/mol
LogP0.82
Rot. Bonds

About 3-amino-7-hydroxy-1H-quinolin-4-one

3-amino-7-hydroxy-1H-quinolin-4-one (PubChem CID 115014622) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 3-amino-7-hydroxy-1H-quinolin-4-one.

Molecular Properties

Compound Name3-amino-7-hydroxy-1H-quinolin-4-one
PubChem CID115014622
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name3-amino-7-hydroxy-1H-quinolin-4-one
SMILESNc1c[nH]c2cc(O)ccc2c1=O
InChIInChI=1S/C9H8N2O2/c10-7-4-11-8-3-5(12)1-2-6(8)9(7)13/h1-4,12H,10H2,(H,11,13)
InChIKeySTTKJHSVPDKHIB-UHFFFAOYSA-N
XLogP0.82
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-dihydroxy-10H-acridin-9-one
CID 14086995
7-hydroxy-3-(4-methoxyphenyl)-1H-quinolin-4-one
CID 71356875
1,5-dihydropyrrolo[2,3-f]indole-3,7-diamine
CID 69036391
3-(6-hydroxy-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 5327725
3-(1-fluoroethyl)-1H-indol-6-ol
CID 84656821
3-(3-amino-1-methylpyrazol-5-yl)-1H-indol-6-ol
CID 136985875
4-oxo-1H-quinoline-3,7-dicarbohydrazide
CID 43839929
3-(5-hydroxy-1H-indol-3-yl)-1H-indole-6-carboxylic acid
CID 59364245
3-amino-5-chloro-6,7-dihydroxy-1H-quinolin-4-one
CID 144617842
5-amino-2-chloro-7H-thieno[2,3-b]pyridin-4-one
CID 84669715
7-(2-aminoacetyl)-4-oxo-1H-quinoline-3-carboxylic acid
CID 170860986
5-amino-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one
CID 130099970

Frequently Asked Questions

What is the IUPAC name of 3-amino-7-hydroxy-1H-quinolin-4-one?
The IUPAC name of 3-amino-7-hydroxy-1H-quinolin-4-one (CID 115014622) is 3-amino-7-hydroxy-1H-quinolin-4-one.
What is the SMILES notation for 3-amino-7-hydroxy-1H-quinolin-4-one?
The canonical SMILES for 3-amino-7-hydroxy-1H-quinolin-4-one is Nc1c[nH]c2cc(O)ccc2c1=O.
What is the InChIKey of 3-amino-7-hydroxy-1H-quinolin-4-one?
The InChIKey is STTKJHSVPDKHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c10-7-4-11-8-3-5(12)1-2-6(8)9(7)13/h1-4,12H,10H2,(H,11,13).
What are the key properties of 3-amino-7-hydroxy-1H-quinolin-4-one?
3-amino-7-hydroxy-1H-quinolin-4-one has a molecular weight of 176.17 g/mol, XLogP of 0.82, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-hydroxy-1H-quinolin-4-one is sourced from PubChem (CID 115014622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).