1H-quinoline-2,2,3,7-tetrol

C9H9NO4 — CID 163216964

IUPAC1H-quinoline-2,2,3,7-tetrol
SMILESOC1=Cc2ccc(O)cc2NC1(O)O
InChIInChI=1S/C9H9NO4/c11-6-2-1-5-3-8(12)9(13,14)10-7(5)4-6/h1-4,10-14H
InChIKeyNMKRYDYBVWKLNC-UHFFFAOYSA-N
MW195.17 g/mol
LogP0.35
Rot. Bonds

About 1H-quinoline-2,2,3,7-tetrol

1H-quinoline-2,2,3,7-tetrol (PubChem CID 163216964) has the molecular formula C9H9NO4 and a molecular weight of 195.17 g/mol. Its IUPAC name is 1H-quinoline-2,2,3,7-tetrol.

Molecular Properties

Compound Name1H-quinoline-2,2,3,7-tetrol
PubChem CID163216964
Molecular FormulaC9H9NO4
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Name1H-quinoline-2,2,3,7-tetrol
SMILESOC1=Cc2ccc(O)cc2NC1(O)O
InChIInChI=1S/C9H9NO4/c11-6-2-1-5-3-8(12)9(13,14)10-7(5)4-6/h1-4,10-14H
InChIKeyNMKRYDYBVWKLNC-UHFFFAOYSA-N
XLogP0.35
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 50.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1H-quinoline-2,2,3,7-tetrol?
The IUPAC name of 1H-quinoline-2,2,3,7-tetrol (CID 163216964) is 1H-quinoline-2,2,3,7-tetrol.
What is the SMILES notation for 1H-quinoline-2,2,3,7-tetrol?
The canonical SMILES for 1H-quinoline-2,2,3,7-tetrol is OC1=Cc2ccc(O)cc2NC1(O)O.
What is the InChIKey of 1H-quinoline-2,2,3,7-tetrol?
The InChIKey is NMKRYDYBVWKLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO4/c11-6-2-1-5-3-8(12)9(13,14)10-7(5)4-6/h1-4,10-14H.
What are the key properties of 1H-quinoline-2,2,3,7-tetrol?
1H-quinoline-2,2,3,7-tetrol has a molecular weight of 195.17 g/mol, XLogP of 0.35, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-quinoline-2,2,3,7-tetrol is sourced from PubChem (CID 163216964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).