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

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Related Compounds

Fumitremorgin C
CID 403923
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptanamide
CID 11504245
6-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-1-[4-(4-amino-phenyl)-piperazin-1-yl]-hexan-1-one
CID 10321497
3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-piperazin-1-yl]-butyl}-1H-indole-5-carboxylic acid amide
CID 11154775
7-[4-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 71151933
N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1H-indole-4-carboxamide
CID 155681500
N-[(4-ethoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide
CID 2450324
12alpha-Fumitremorgin C
CID 14105029
(R)-8-{4-[3-(1H-Indol-3-yl)-propyl]-piperazin-1-yl}-2-methyl-4H-benzo[1,4]oxazin-3-one
CID 11574985
(S)-8-{4-[3-(1H-Indol-3-yl)-propyl]-piperazin-1-yl}-2-methyl-4H-benzo[1,4]oxazin-3-one
CID 11647101
8-{4-[3-(1H-Indol-3-yl)-propyl]-piperazin-1-yl}-2-methyl-4H-benzo[1,4]oxazin-3-one
CID 11675785
8-{4-[3-(1H-Indol-3-yl)-propyl]-piperazin-1-yl}-4H-benzo[1,4]oxazin-3-one
CID 11696788

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).