1-[4-[benzyl(methyl)amino]butyl]-3,4-dihydroquinolin-2-one

C21H26N2O — CID 134152664

IUPAC1-[4-[benzyl(methyl)amino]butyl]-3,4-dihydroquinolin-2-one
SMILESCN(CCCCN1C(=O)CCc2ccccc21)Cc1ccccc1
InChIInChI=1S/C21H26N2O/c1-22(17-18-9-3-2-4-10-18)15-7-8-16-23-20-12-6-5-11-19(20)13-14-21(23)24/h2-6,9-12H,7-8,13-17H2,1H3
InChIKeyFWSRLDTVTUGWKJ-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.88
Rot. Bonds7

About 1-[4-[benzyl(methyl)amino]butyl]-3,4-dihydroquinolin-2-one

1-[4-[benzyl(methyl)amino]butyl]-3,4-dihydroquinolin-2-one (PubChem CID 134152664) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-[4-[benzyl(methyl)amino]butyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[4-[benzyl(methyl)amino]butyl]-3,4-dihydroquinolin-2-one
PubChem CID134152664
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name1-[4-[benzyl(methyl)amino]butyl]-3,4-dihydroquinolin-2-one
SMILESCN(CCCCN1C(=O)CCc2ccccc21)Cc1ccccc1
InChIInChI=1S/C21H26N2O/c1-22(17-18-9-3-2-4-10-18)15-7-8-16-23-20-12-6-5-11-19(20)13-14-21(23)24/h2-6,9-12H,7-8,13-17H2,1H3
InChIKeyFWSRLDTVTUGWKJ-UHFFFAOYSA-N
XLogP3.88
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[benzyl(methyl)amino]butyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[4-[benzyl(methyl)amino]butyl]-3,4-dihydroquinolin-2-one (CID 134152664) is 1-[4-[benzyl(methyl)amino]butyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[4-[benzyl(methyl)amino]butyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[4-[benzyl(methyl)amino]butyl]-3,4-dihydroquinolin-2-one is CN(CCCCN1C(=O)CCc2ccccc21)Cc1ccccc1.
What is the InChIKey of 1-[4-[benzyl(methyl)amino]butyl]-3,4-dihydroquinolin-2-one?
The InChIKey is FWSRLDTVTUGWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-22(17-18-9-3-2-4-10-18)15-7-8-16-23-20-12-6-5-11-19(20)13-14-21(23)24/h2-6,9-12H,7-8,13-17H2,1H3.
What are the key properties of 1-[4-[benzyl(methyl)amino]butyl]-3,4-dihydroquinolin-2-one?
1-[4-[benzyl(methyl)amino]butyl]-3,4-dihydroquinolin-2-one has a molecular weight of 322.45 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[benzyl(methyl)amino]butyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 134152664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).