7-[4-[4-(1H-indol-4-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one

C25H30N4O2 — CID 131801153

IUPAC7-[4-[4-(1H-indol-4-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2ccc(OCCCCN3CCN(c4cccc5[nH]ccc45)CC3)cc2N1
InChIInChI=1S/C25H30N4O2/c30-25-9-7-19-6-8-20(18-23(19)27-25)31-17-2-1-12-28-13-15-29(16-14-28)24-5-3-4-22-21(24)10-11-26-22/h3-6,8,10-11,18,26H,1-2,7,9,12-17H2,(H,27,30)
InChIKeyGLEZZSAETATKRY-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.03
Rot. Bonds7

About 7-[4-[4-(1H-indol-4-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one

7-[4-[4-(1H-indol-4-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 131801153) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 7-[4-[4-(1H-indol-4-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[4-[4-(1H-indol-4-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID131801153
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name7-[4-[4-(1H-indol-4-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2ccc(OCCCCN3CCN(c4cccc5[nH]ccc45)CC3)cc2N1
InChIInChI=1S/C25H30N4O2/c30-25-9-7-19-6-8-20(18-23(19)27-25)31-17-2-1-12-28-13-15-29(16-14-28)24-5-3-4-22-21(24)10-11-26-22/h3-6,8,10-11,18,26H,1-2,7,9,12-17H2,(H,27,30)
InChIKeyGLEZZSAETATKRY-UHFFFAOYSA-N
XLogP4.03
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-[4-[4-(1H-indol-4-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[4-[4-(1H-indol-4-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-[4-[4-(1H-indol-4-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one (CID 131801153) is 7-[4-[4-(1H-indol-4-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-[4-[4-(1H-indol-4-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-[4-[4-(1H-indol-4-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2ccc(OCCCCN3CCN(c4cccc5[nH]ccc45)CC3)cc2N1.
What is the InChIKey of 7-[4-[4-(1H-indol-4-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is GLEZZSAETATKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c30-25-9-7-19-6-8-20(18-23(19)27-25)31-17-2-1-12-28-13-15-29(16-14-28)24-5-3-4-22-21(24)10-11-26-22/h3-6,8,10-11,18,26H,1-2,7,9,12-17H2,(H,27,30).
What are the key properties of 7-[4-[4-(1H-indol-4-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one?
7-[4-[4-(1H-indol-4-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 418.54 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[4-(1H-indol-4-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 131801153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).