2,4-dihydroxy-1H-quinoline-2-carbaldehyde

C10H9NO3 — CID 88817970

IUPAC2,4-dihydroxy-1H-quinoline-2-carbaldehyde
SMILESO=CC1(O)C=C(O)c2ccccc2N1
InChIInChI=1S/C10H9NO3/c12-6-10(14)5-9(13)7-3-1-2-4-8(7)11-10/h1-6,11,13-14H
InChIKeyMWBNOVWJWBPBPN-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.90
Rot. Bonds1

About 2,4-dihydroxy-1H-quinoline-2-carbaldehyde

2,4-dihydroxy-1H-quinoline-2-carbaldehyde (PubChem CID 88817970) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 2,4-dihydroxy-1H-quinoline-2-carbaldehyde.

Molecular Properties

Compound Name2,4-dihydroxy-1H-quinoline-2-carbaldehyde
PubChem CID88817970
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name2,4-dihydroxy-1H-quinoline-2-carbaldehyde
SMILESO=CC1(O)C=C(O)c2ccccc2N1
InChIInChI=1S/C10H9NO3/c12-6-10(14)5-9(13)7-3-1-2-4-8(7)11-10/h1-6,11,13-14H
InChIKeyMWBNOVWJWBPBPN-UHFFFAOYSA-N
XLogP0.90
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-1H-quinoline-2-carbaldehyde?
The IUPAC name of 2,4-dihydroxy-1H-quinoline-2-carbaldehyde (CID 88817970) is 2,4-dihydroxy-1H-quinoline-2-carbaldehyde.
What is the SMILES notation for 2,4-dihydroxy-1H-quinoline-2-carbaldehyde?
The canonical SMILES for 2,4-dihydroxy-1H-quinoline-2-carbaldehyde is O=CC1(O)C=C(O)c2ccccc2N1.
What is the InChIKey of 2,4-dihydroxy-1H-quinoline-2-carbaldehyde?
The InChIKey is MWBNOVWJWBPBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c12-6-10(14)5-9(13)7-3-1-2-4-8(7)11-10/h1-6,11,13-14H.
What are the key properties of 2,4-dihydroxy-1H-quinoline-2-carbaldehyde?
2,4-dihydroxy-1H-quinoline-2-carbaldehyde has a molecular weight of 191.19 g/mol, XLogP of 0.90, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-1H-quinoline-2-carbaldehyde is sourced from PubChem (CID 88817970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).