1-[3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydroquinolin-2-one

C22H27N3O — CID 14925759

IUPAC1-[3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2ccccc2N1CCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H27N3O/c26-22-12-11-19-7-4-5-10-21(19)25(22)14-6-13-23-15-17-24(18-16-23)20-8-2-1-3-9-20/h1-5,7-10H,6,11-18H2
InChIKeyABOBMBIQQPJTMJ-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.18
Rot. Bonds5

About 1-[3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydroquinolin-2-one

1-[3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydroquinolin-2-one (PubChem CID 14925759) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 1-[3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydroquinolin-2-one
PubChem CID14925759
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name1-[3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2ccccc2N1CCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H27N3O/c26-22-12-11-19-7-4-5-10-21(19)25(22)14-6-13-23-15-17-24(18-16-23)20-8-2-1-3-9-20/h1-5,7-10H,6,11-18H2
InChIKeyABOBMBIQQPJTMJ-UHFFFAOYSA-N
XLogP3.18
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydroquinolin-2-one (CID 14925759) is 1-[3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydroquinolin-2-one is O=C1CCc2ccccc2N1CCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydroquinolin-2-one?
The InChIKey is ABOBMBIQQPJTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c26-22-12-11-19-7-4-5-10-21(19)25(22)14-6-13-23-15-17-24(18-16-23)20-8-2-1-3-9-20/h1-5,7-10H,6,11-18H2.
What are the key properties of 1-[3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydroquinolin-2-one?
1-[3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydroquinolin-2-one has a molecular weight of 349.48 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 14925759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).