2-[2-(3-hydroxyquinolin-2-yl)acetyl]benzaldehyde

C18H13NO3 — CID 88978638

IUPAC2-[2-(3-hydroxyquinolin-2-yl)acetyl]benzaldehyde
SMILESO=Cc1ccccc1C(=O)Cc1nc2ccccc2cc1O
InChIInChI=1S/C18H13NO3/c20-11-13-6-1-3-7-14(13)17(21)10-16-18(22)9-12-5-2-4-8-15(12)19-16/h1-9,11,22H,10H2
InChIKeyUAKMVHHZBGLMLB-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.18
Rot. Bonds4

About 2-[2-(3-hydroxyquinolin-2-yl)acetyl]benzaldehyde

2-[2-(3-hydroxyquinolin-2-yl)acetyl]benzaldehyde (PubChem CID 88978638) has the molecular formula C18H13NO3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-[2-(3-hydroxyquinolin-2-yl)acetyl]benzaldehyde.

Molecular Properties

Compound Name2-[2-(3-hydroxyquinolin-2-yl)acetyl]benzaldehyde
PubChem CID88978638
Molecular FormulaC18H13NO3
Molecular Weight291.31 g/mol
Exact Mass291.09
IUPAC Name2-[2-(3-hydroxyquinolin-2-yl)acetyl]benzaldehyde
SMILESO=Cc1ccccc1C(=O)Cc1nc2ccccc2cc1O
InChIInChI=1S/C18H13NO3/c20-11-13-6-1-3-7-14(13)17(21)10-16-18(22)9-12-5-2-4-8-15(12)19-16/h1-9,11,22H,10H2
InChIKeyUAKMVHHZBGLMLB-UHFFFAOYSA-N
XLogP3.18
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
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-[2-(3-hydroxyquinolin-2-yl)acetyl]benzaldehyde?
The IUPAC name of 2-[2-(3-hydroxyquinolin-2-yl)acetyl]benzaldehyde (CID 88978638) is 2-[2-(3-hydroxyquinolin-2-yl)acetyl]benzaldehyde.
What is the SMILES notation for 2-[2-(3-hydroxyquinolin-2-yl)acetyl]benzaldehyde?
The canonical SMILES for 2-[2-(3-hydroxyquinolin-2-yl)acetyl]benzaldehyde is O=Cc1ccccc1C(=O)Cc1nc2ccccc2cc1O.
What is the InChIKey of 2-[2-(3-hydroxyquinolin-2-yl)acetyl]benzaldehyde?
The InChIKey is UAKMVHHZBGLMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO3/c20-11-13-6-1-3-7-14(13)17(21)10-16-18(22)9-12-5-2-4-8-15(12)19-16/h1-9,11,22H,10H2.
What are the key properties of 2-[2-(3-hydroxyquinolin-2-yl)acetyl]benzaldehyde?
2-[2-(3-hydroxyquinolin-2-yl)acetyl]benzaldehyde has a molecular weight of 291.31 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-hydroxyquinolin-2-yl)acetyl]benzaldehyde is sourced from PubChem (CID 88978638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).