1,2,3,4-tetrahydroquinoline-2,4-diol

C9H11NO2 — CID 155578583

IUPAC1,2,3,4-tetrahydroquinoline-2,4-diol
SMILESOC1CC(O)c2ccccc2N1
InChIInChI=1S/C9H11NO2/c11-8-5-9(12)10-7-4-2-1-3-6(7)8/h1-4,8-12H,5H2
InChIKeyDNTDDPVQUKQKBJ-UHFFFAOYSA-N
MW165.19 g/mol
LogP0.85
Rot. Bonds

About 1,2,3,4-tetrahydroquinoline-2,4-diol

1,2,3,4-tetrahydroquinoline-2,4-diol (PubChem CID 155578583) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroquinoline-2,4-diol.

Molecular Properties

Compound Name1,2,3,4-tetrahydroquinoline-2,4-diol
PubChem CID155578583
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name1,2,3,4-tetrahydroquinoline-2,4-diol
SMILESOC1CC(O)c2ccccc2N1
InChIInChI=1S/C9H11NO2/c11-8-5-9(12)10-7-4-2-1-3-6(7)8/h1-4,8-12H,5H2
InChIKeyDNTDDPVQUKQKBJ-UHFFFAOYSA-N
XLogP0.85
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1,2,3,4-tetrahydroquinoline-2,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,3,4-tetrahydronaphthalene-1,4-diol
CID 14440163
(3R)-2,3-dihydro-1H-indol-3-ol
CID 67667878
(2R,4S)-2-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroquinolin-4-ol
CID 124677082
(2S,4S)-2-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinolin-4-ol
CID 124841871
(5R)-6,11-dihydro-5H-benzo[b][1]benzazepin-5-ol
CID 86312420
(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-ol
CID 640582
(1S,3R)-3-amino-2,3-dihydro-1H-inden-1-ol
CID 12013036
(2S,4R,7S)-tricyclo[6.4.0.02,4]dodeca-1(12),8,10-trien-7-ol
CID 10397277
(2R,4S,7R)-tricyclo[6.4.0.02,4]dodeca-1(12),8,10-trien-7-ol
CID 130762493
(2S,3R,4R)-3,4-dihydroxy-1,2,3,4-tetrahydroquinoline-2-carbonitrile
CID 90662612
(1S,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-ol
CID 12927411
(1R,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-ol
CID 91647488

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydroquinoline-2,4-diol?
The IUPAC name of 1,2,3,4-tetrahydroquinoline-2,4-diol (CID 155578583) is 1,2,3,4-tetrahydroquinoline-2,4-diol.
What is the SMILES notation for 1,2,3,4-tetrahydroquinoline-2,4-diol?
The canonical SMILES for 1,2,3,4-tetrahydroquinoline-2,4-diol is OC1CC(O)c2ccccc2N1.
What is the InChIKey of 1,2,3,4-tetrahydroquinoline-2,4-diol?
The InChIKey is DNTDDPVQUKQKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c11-8-5-9(12)10-7-4-2-1-3-6(7)8/h1-4,8-12H,5H2.
What are the key properties of 1,2,3,4-tetrahydroquinoline-2,4-diol?
1,2,3,4-tetrahydroquinoline-2,4-diol has a molecular weight of 165.19 g/mol, XLogP of 0.85, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydroquinoline-2,4-diol is sourced from PubChem (CID 155578583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).