1-benzyl-2-oxoquinoline-3-carbaldehyde

C17H13NO2 — CID 14096258

IUPAC1-benzyl-2-oxoquinoline-3-carbaldehyde
SMILESO=Cc1cc2ccccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C17H13NO2/c19-12-15-10-14-8-4-5-9-16(14)18(17(15)20)11-13-6-2-1-3-7-13/h1-10,12H,11H2
InChIKeyYRSPCRUWAKFSQP-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.86
Rot. Bonds3

About 1-benzyl-2-oxoquinoline-3-carbaldehyde

1-benzyl-2-oxoquinoline-3-carbaldehyde (PubChem CID 14096258) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-benzyl-2-oxoquinoline-3-carbaldehyde.

Molecular Properties

Compound Name1-benzyl-2-oxoquinoline-3-carbaldehyde
PubChem CID14096258
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name1-benzyl-2-oxoquinoline-3-carbaldehyde
SMILESO=Cc1cc2ccccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C17H13NO2/c19-12-15-10-14-8-4-5-9-16(14)18(17(15)20)11-13-6-2-1-3-7-13/h1-10,12H,11H2
InChIKeyYRSPCRUWAKFSQP-UHFFFAOYSA-N
XLogP2.86
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Crotamiton
CID 2883
N-Ethyl-o-crotonotoluidide
CID 688020
1-Methyl-2-quinolone
CID 11820
1,4-Dimethyl-2-quinolone
CID 97252
N-(2-Hydroxy-quinolin-4-ylmethyl)-N-phenyl-propionamide
CID 943545
2-Hydroxyquinoline-3-carbaldehyde
CID 589334
2-Butenamide, N-ethyl-N-(2-methylphenyl)-, (Z)-
CID 6604255
1-[3-(4-Fluorophenyl)acryloyl]-1,2,3,4-tetrahydroquinoline
CID 773758
(2-methyl-2H-quinolin-1-yl)-phenylmethanone
CID 2998966
4-Methyl-1-phenyl-2(1H)-quinolone
CID 269183
N-cycloheptyl-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carboxamide
CID 46911790
N-(2-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
CID 939075

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-oxoquinoline-3-carbaldehyde?
The IUPAC name of 1-benzyl-2-oxoquinoline-3-carbaldehyde (CID 14096258) is 1-benzyl-2-oxoquinoline-3-carbaldehyde.
What is the SMILES notation for 1-benzyl-2-oxoquinoline-3-carbaldehyde?
The canonical SMILES for 1-benzyl-2-oxoquinoline-3-carbaldehyde is O=Cc1cc2ccccc2n(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-2-oxoquinoline-3-carbaldehyde?
The InChIKey is YRSPCRUWAKFSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2/c19-12-15-10-14-8-4-5-9-16(14)18(17(15)20)11-13-6-2-1-3-7-13/h1-10,12H,11H2.
What are the key properties of 1-benzyl-2-oxoquinoline-3-carbaldehyde?
1-benzyl-2-oxoquinoline-3-carbaldehyde has a molecular weight of 263.30 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-oxoquinoline-3-carbaldehyde is sourced from PubChem (CID 14096258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).