7-[3-(4-benzylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one

C23H29N3O2 — CID 12899541

IUPAC7-[3-(4-benzylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2ccc(OCCCN3CCN(Cc4ccccc4)CC3)cc2N1
InChIInChI=1S/C23H29N3O2/c27-23-10-8-20-7-9-21(17-22(20)24-23)28-16-4-11-25-12-14-26(15-13-25)18-19-5-2-1-3-6-19/h1-3,5-7,9,17H,4,8,10-16,18H2,(H,24,27)
InChIKeyRRBYJBJQLCHSIT-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.16
Rot. Bonds7

About 7-[3-(4-benzylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one

7-[3-(4-benzylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 12899541) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 7-[3-(4-benzylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[3-(4-benzylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID12899541
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name7-[3-(4-benzylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2ccc(OCCCN3CCN(Cc4ccccc4)CC3)cc2N1
InChIInChI=1S/C23H29N3O2/c27-23-10-8-20-7-9-21(17-22(20)24-23)28-16-4-11-25-12-14-26(15-13-25)18-19-5-2-1-3-6-19/h1-3,5-7,9,17H,4,8,10-16,18H2,(H,24,27)
InChIKeyRRBYJBJQLCHSIT-UHFFFAOYSA-N
XLogP3.16
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 7-[3-(4-benzylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-[3-(4-benzylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one (CID 12899541) is 7-[3-(4-benzylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-[3-(4-benzylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-[3-(4-benzylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2ccc(OCCCN3CCN(Cc4ccccc4)CC3)cc2N1.
What is the InChIKey of 7-[3-(4-benzylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is RRBYJBJQLCHSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c27-23-10-8-20-7-9-21(17-22(20)24-23)28-16-4-11-25-12-14-26(15-13-25)18-19-5-2-1-3-6-19/h1-3,5-7,9,17H,4,8,10-16,18H2,(H,24,27).
What are the key properties of 7-[3-(4-benzylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one?
7-[3-(4-benzylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 379.50 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(4-benzylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 12899541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).