1-benzyl-7-[3-(dimethylamino)propoxy]-3,4-dihydroquinolin-2-one

C21H26N2O2 — CID 90654942

IUPAC1-benzyl-7-[3-(dimethylamino)propoxy]-3,4-dihydroquinolin-2-one
SMILESCN(C)CCCOc1ccc2c(c1)N(Cc1ccccc1)C(=O)CC2
InChIInChI=1S/C21H26N2O2/c1-22(2)13-6-14-25-19-11-9-18-10-12-21(24)23(20(18)15-19)16-17-7-4-3-5-8-17/h3-5,7-9,11,15H,6,10,12-14,16H2,1-2H3
InChIKeyJPMNAEZYKQANPK-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.50
Rot. Bonds7

About 1-benzyl-7-[3-(dimethylamino)propoxy]-3,4-dihydroquinolin-2-one

1-benzyl-7-[3-(dimethylamino)propoxy]-3,4-dihydroquinolin-2-one (PubChem CID 90654942) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-benzyl-7-[3-(dimethylamino)propoxy]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-benzyl-7-[3-(dimethylamino)propoxy]-3,4-dihydroquinolin-2-one
PubChem CID90654942
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name1-benzyl-7-[3-(dimethylamino)propoxy]-3,4-dihydroquinolin-2-one
SMILESCN(C)CCCOc1ccc2c(c1)N(Cc1ccccc1)C(=O)CC2
InChIInChI=1S/C21H26N2O2/c1-22(2)13-6-14-25-19-11-9-18-10-12-21(24)23(20(18)15-19)16-17-7-4-3-5-8-17/h3-5,7-9,11,15H,6,10,12-14,16H2,1-2H3
InChIKeyJPMNAEZYKQANPK-UHFFFAOYSA-N
XLogP3.50
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-benzyl-7-[3-(dimethylamino)propoxy]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-benzyl-7-[3-(dimethylamino)propoxy]-3,4-dihydroquinolin-2-one (CID 90654942) is 1-benzyl-7-[3-(dimethylamino)propoxy]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-benzyl-7-[3-(dimethylamino)propoxy]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-benzyl-7-[3-(dimethylamino)propoxy]-3,4-dihydroquinolin-2-one is CN(C)CCCOc1ccc2c(c1)N(Cc1ccccc1)C(=O)CC2.
What is the InChIKey of 1-benzyl-7-[3-(dimethylamino)propoxy]-3,4-dihydroquinolin-2-one?
The InChIKey is JPMNAEZYKQANPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-22(2)13-6-14-25-19-11-9-18-10-12-21(24)23(20(18)15-19)16-17-7-4-3-5-8-17/h3-5,7-9,11,15H,6,10,12-14,16H2,1-2H3.
What are the key properties of 1-benzyl-7-[3-(dimethylamino)propoxy]-3,4-dihydroquinolin-2-one?
1-benzyl-7-[3-(dimethylamino)propoxy]-3,4-dihydroquinolin-2-one has a molecular weight of 338.45 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-7-[3-(dimethylamino)propoxy]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 90654942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).