1-benzyl-8-hydroxy-2-oxo-3,4-dihydroquinoline-5-carbaldehyde

C17H15NO3 — CID 86613945

IUPAC1-benzyl-8-hydroxy-2-oxo-3,4-dihydroquinoline-5-carbaldehyde
SMILESO=Cc1ccc(O)c2c1CCC(=O)N2Cc1ccccc1
InChIInChI=1S/C17H15NO3/c19-11-13-6-8-15(20)17-14(13)7-9-16(21)18(17)10-12-4-2-1-3-5-12/h1-6,8,11,20H,7,9-10H2
InChIKeyREZRYXTXNXOGHW-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.68
Rot. Bonds3

About 1-benzyl-8-hydroxy-2-oxo-3,4-dihydroquinoline-5-carbaldehyde

1-benzyl-8-hydroxy-2-oxo-3,4-dihydroquinoline-5-carbaldehyde (PubChem CID 86613945) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-benzyl-8-hydroxy-2-oxo-3,4-dihydroquinoline-5-carbaldehyde.

Molecular Properties

Compound Name1-benzyl-8-hydroxy-2-oxo-3,4-dihydroquinoline-5-carbaldehyde
PubChem CID86613945
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name1-benzyl-8-hydroxy-2-oxo-3,4-dihydroquinoline-5-carbaldehyde
SMILESO=Cc1ccc(O)c2c1CCC(=O)N2Cc1ccccc1
InChIInChI=1S/C17H15NO3/c19-11-13-6-8-15(20)17-14(13)7-9-16(21)18(17)10-12-4-2-1-3-5-12/h1-6,8,11,20H,7,9-10H2
InChIKeyREZRYXTXNXOGHW-UHFFFAOYSA-N
XLogP2.68
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
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 1-benzyl-8-hydroxy-2-oxo-3,4-dihydroquinoline-5-carbaldehyde?
The IUPAC name of 1-benzyl-8-hydroxy-2-oxo-3,4-dihydroquinoline-5-carbaldehyde (CID 86613945) is 1-benzyl-8-hydroxy-2-oxo-3,4-dihydroquinoline-5-carbaldehyde.
What is the SMILES notation for 1-benzyl-8-hydroxy-2-oxo-3,4-dihydroquinoline-5-carbaldehyde?
The canonical SMILES for 1-benzyl-8-hydroxy-2-oxo-3,4-dihydroquinoline-5-carbaldehyde is O=Cc1ccc(O)c2c1CCC(=O)N2Cc1ccccc1.
What is the InChIKey of 1-benzyl-8-hydroxy-2-oxo-3,4-dihydroquinoline-5-carbaldehyde?
The InChIKey is REZRYXTXNXOGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c19-11-13-6-8-15(20)17-14(13)7-9-16(21)18(17)10-12-4-2-1-3-5-12/h1-6,8,11,20H,7,9-10H2.
What are the key properties of 1-benzyl-8-hydroxy-2-oxo-3,4-dihydroquinoline-5-carbaldehyde?
1-benzyl-8-hydroxy-2-oxo-3,4-dihydroquinoline-5-carbaldehyde has a molecular weight of 281.31 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-8-hydroxy-2-oxo-3,4-dihydroquinoline-5-carbaldehyde is sourced from PubChem (CID 86613945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).