2-hydroxy-1,2-dihydroquinoline-3-carbaldehyde

C10H9NO2 — CID 170898303

IUPAC2-hydroxy-1,2-dihydroquinoline-3-carbaldehyde
SMILESO=CC1=Cc2ccccc2NC1O
InChIInChI=1S/C10H9NO2/c12-6-8-5-7-3-1-2-4-9(7)11-10(8)13/h1-6,10-11,13H
InChIKeyZQAPGBXTEIGULS-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.01
Rot. Bonds1

About 2-hydroxy-1,2-dihydroquinoline-3-carbaldehyde

2-hydroxy-1,2-dihydroquinoline-3-carbaldehyde (PubChem CID 170898303) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-hydroxy-1,2-dihydroquinoline-3-carbaldehyde.

Molecular Properties

Compound Name2-hydroxy-1,2-dihydroquinoline-3-carbaldehyde
PubChem CID170898303
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name2-hydroxy-1,2-dihydroquinoline-3-carbaldehyde
SMILESO=CC1=Cc2ccccc2NC1O
InChIInChI=1S/C10H9NO2/c12-6-8-5-7-3-1-2-4-9(7)11-10(8)13/h1-6,10-11,13H
InChIKeyZQAPGBXTEIGULS-UHFFFAOYSA-N
XLogP1.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1,2-dihydroquinoline-3-carbaldehyde?
The IUPAC name of 2-hydroxy-1,2-dihydroquinoline-3-carbaldehyde (CID 170898303) is 2-hydroxy-1,2-dihydroquinoline-3-carbaldehyde.
What is the SMILES notation for 2-hydroxy-1,2-dihydroquinoline-3-carbaldehyde?
The canonical SMILES for 2-hydroxy-1,2-dihydroquinoline-3-carbaldehyde is O=CC1=Cc2ccccc2NC1O.
What is the InChIKey of 2-hydroxy-1,2-dihydroquinoline-3-carbaldehyde?
The InChIKey is ZQAPGBXTEIGULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c12-6-8-5-7-3-1-2-4-9(7)11-10(8)13/h1-6,10-11,13H.
What are the key properties of 2-hydroxy-1,2-dihydroquinoline-3-carbaldehyde?
2-hydroxy-1,2-dihydroquinoline-3-carbaldehyde has a molecular weight of 175.19 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1,2-dihydroquinoline-3-carbaldehyde is sourced from PubChem (CID 170898303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).