1-[3-(dimethylamino)propyl]-4-phenylquinolin-2-one

C20H22N2O — CID 71568687

IUPAC1-[3-(dimethylamino)propyl]-4-phenylquinolin-2-one
SMILESCN(C)CCCn1c(=O)cc(-c2ccccc2)c2ccccc21
InChIInChI=1S/C20H22N2O/c1-21(2)13-8-14-22-19-12-7-6-11-17(19)18(15-20(22)23)16-9-4-3-5-10-16/h3-7,9-12,15H,8,13-14H2,1-2H3
InChIKeyWFJKHMJBLYPBQZ-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.62
Rot. Bonds5

About 1-[3-(dimethylamino)propyl]-4-phenylquinolin-2-one

1-[3-(dimethylamino)propyl]-4-phenylquinolin-2-one (PubChem CID 71568687) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-4-phenylquinolin-2-one.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-4-phenylquinolin-2-one
PubChem CID71568687
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name1-[3-(dimethylamino)propyl]-4-phenylquinolin-2-one
SMILESCN(C)CCCn1c(=O)cc(-c2ccccc2)c2ccccc21
InChIInChI=1S/C20H22N2O/c1-21(2)13-8-14-22-19-12-7-6-11-17(19)18(15-20(22)23)16-9-4-3-5-10-16/h3-7,9-12,15H,8,13-14H2,1-2H3
InChIKeyWFJKHMJBLYPBQZ-UHFFFAOYSA-N
XLogP3.62
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-4-phenylquinolin-2-one?
The IUPAC name of 1-[3-(dimethylamino)propyl]-4-phenylquinolin-2-one (CID 71568687) is 1-[3-(dimethylamino)propyl]-4-phenylquinolin-2-one.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-4-phenylquinolin-2-one?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-4-phenylquinolin-2-one is CN(C)CCCn1c(=O)cc(-c2ccccc2)c2ccccc21.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-4-phenylquinolin-2-one?
The InChIKey is WFJKHMJBLYPBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-21(2)13-8-14-22-19-12-7-6-11-17(19)18(15-20(22)23)16-9-4-3-5-10-16/h3-7,9-12,15H,8,13-14H2,1-2H3.
What are the key properties of 1-[3-(dimethylamino)propyl]-4-phenylquinolin-2-one?
1-[3-(dimethylamino)propyl]-4-phenylquinolin-2-one has a molecular weight of 306.41 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-4-phenylquinolin-2-one is sourced from PubChem (CID 71568687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).