1-benzyl-3,4-dihydroquinolin-2-one

C16H15NO — CID 2807457

IUPAC1-benzyl-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2ccccc2N1Cc1ccccc1
InChIInChI=1S/C16H15NO/c18-16-11-10-14-8-4-5-9-15(14)17(16)12-13-6-2-1-3-7-13/h1-9H,10-12H2
InChIKeyNSWBPHXMAGSXPV-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.17
Rot. Bonds2

About 1-benzyl-3,4-dihydroquinolin-2-one

1-benzyl-3,4-dihydroquinolin-2-one (PubChem CID 2807457) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-benzyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-benzyl-3,4-dihydroquinolin-2-one
PubChem CID2807457
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name1-benzyl-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2ccccc2N1Cc1ccccc1
InChIInChI=1S/C16H15NO/c18-16-11-10-14-8-4-5-9-15(14)17(16)12-13-6-2-1-3-7-13/h1-9H,10-12H2
InChIKeyNSWBPHXMAGSXPV-UHFFFAOYSA-N
XLogP3.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-benzyl-3,4-dihydroquinolin-2-one (CID 2807457) is 1-benzyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-benzyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-benzyl-3,4-dihydroquinolin-2-one is O=C1CCc2ccccc2N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3,4-dihydroquinolin-2-one?
The InChIKey is NSWBPHXMAGSXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c18-16-11-10-14-8-4-5-9-15(14)17(16)12-13-6-2-1-3-7-13/h1-9H,10-12H2.
What are the key properties of 1-benzyl-3,4-dihydroquinolin-2-one?
1-benzyl-3,4-dihydroquinolin-2-one has a molecular weight of 237.30 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 2807457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).