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

C9H10N2O4 — CID 22320445

IUPAC3-nitro-1,2,3,4-tetrahydroquinoline-2,4-diol
SMILESO=[N+]([O-])C1C(O)Nc2ccccc2C1O
InChIInChI=1S/C9H10N2O4/c12-8-5-3-1-2-4-6(5)10-9(13)7(8)11(14)15/h1-4,7-10,12-13H
InChIKeySSROMDLXMIKMGP-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.11
Rot. Bonds1

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

3-nitro-1,2,3,4-tetrahydroquinoline-2,4-diol (PubChem CID 22320445) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 3-nitro-1,2,3,4-tetrahydroquinoline-2,4-diol.

Molecular Properties

Compound Name3-nitro-1,2,3,4-tetrahydroquinoline-2,4-diol
PubChem CID22320445
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name3-nitro-1,2,3,4-tetrahydroquinoline-2,4-diol
SMILESO=[N+]([O-])C1C(O)Nc2ccccc2C1O
InChIInChI=1S/C9H10N2O4/c12-8-5-3-1-2-4-6(5)10-9(13)7(8)11(14)15/h1-4,7-10,12-13H
InChIKeySSROMDLXMIKMGP-UHFFFAOYSA-N
XLogP0.11
TPSA95.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R,3S,4R)-3-nitro-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 1229687
(3aR,4R,9bR)-4-(2-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 7070699
methyl 2-[(1R,2S,3S)-3-hydroxy-2-nitro-2,3-dihydro-1H-inden-1-yl]acetate
CID 102527176
(2R,3R,4R)-3-nitro-2-thiophen-2-yl-3,4-dihydro-2H-thiochromen-4-ol
CID 102229135
(2S,3R,4R)-3,4-dihydroxy-1,2,3,4-tetrahydroquinoline-2-carbonitrile
CID 90662612
1,2,3,4-tetrahydroquinoline-2,4-diol
CID 155578583
2-(3-bromophenyl)-3-nitro-3,4-dihydro-2H-thiochromen-4-ol
CID 135029191
2-(2-nitrophenyl)cyclohexan-1-ol
CID 82242231
1-[(2,4-dihydroxy-1,2,3,4-tetrahydroquinolin-3-yl)methyl]-3-hexylthiourea
CID 141150383
(2R,4R)-4-methyl-2-(4-nitrophenyl)-1,2,3,4-tetrahydroquinazoline
CID 129404314
4-(2-hydroxy-4-methyl-1,2,3,4-tetrahydroquinolin-3-yl)butan-2-one
CID 89475244
(2R,3S,4S)-6-chloro-3-nitro-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 99942157

Frequently Asked Questions

What is the IUPAC name of 3-nitro-1,2,3,4-tetrahydroquinoline-2,4-diol?
The IUPAC name of 3-nitro-1,2,3,4-tetrahydroquinoline-2,4-diol (CID 22320445) is 3-nitro-1,2,3,4-tetrahydroquinoline-2,4-diol.
What is the SMILES notation for 3-nitro-1,2,3,4-tetrahydroquinoline-2,4-diol?
The canonical SMILES for 3-nitro-1,2,3,4-tetrahydroquinoline-2,4-diol is O=[N+]([O-])C1C(O)Nc2ccccc2C1O.
What is the InChIKey of 3-nitro-1,2,3,4-tetrahydroquinoline-2,4-diol?
The InChIKey is SSROMDLXMIKMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c12-8-5-3-1-2-4-6(5)10-9(13)7(8)11(14)15/h1-4,7-10,12-13H.
What are the key properties of 3-nitro-1,2,3,4-tetrahydroquinoline-2,4-diol?
3-nitro-1,2,3,4-tetrahydroquinoline-2,4-diol has a molecular weight of 210.19 g/mol, XLogP of 0.11, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-1,2,3,4-tetrahydroquinoline-2,4-diol is sourced from PubChem (CID 22320445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).