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

C25H32ClN3O2 — CID 155535057

IUPAC7-[4-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCCc1cccc(N2CCN(CCCCOc3ccc4c(c3)NC(=O)CC4)CC2)c1Cl
InChIInChI=1S/C25H32ClN3O2/c1-2-19-6-5-7-23(25(19)26)29-15-13-28(14-16-29)12-3-4-17-31-21-10-8-20-9-11-24(30)27-22(20)18-21/h5-8,10,18H,2-4,9,11-17H2,1H3,(H,27,30)
InChIKeyFUGWOZRGTJZGAQ-UHFFFAOYSA-N
MW442.00 g/mol
LogP4.77
Rot. Bonds8

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

7-[4-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 155535057) has the molecular formula C25H32ClN3O2 and a molecular weight of 442.00 g/mol. Its IUPAC name is 7-[4-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[4-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID155535057
Molecular FormulaC25H32ClN3O2
Molecular Weight442.00 g/mol
Exact Mass441.22
IUPAC Name7-[4-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCCc1cccc(N2CCN(CCCCOc3ccc4c(c3)NC(=O)CC4)CC2)c1Cl
InChIInChI=1S/C25H32ClN3O2/c1-2-19-6-5-7-23(25(19)26)29-15-13-28(14-16-29)12-3-4-17-31-21-10-8-20-9-11-24(30)27-22(20)18-21/h5-8,10,18H,2-4,9,11-17H2,1H3,(H,27,30)
InChIKeyFUGWOZRGTJZGAQ-UHFFFAOYSA-N
XLogP4.77
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.00
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Related Compounds

Aripiprazole
CID 60795
Aripiprazole Lauroxil
CID 49831411
Opc-14523
CID 9892540
7-[4-(4-phenylpiperazin-1-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 12899503
Unc0006
CID 56597938
7-(4-(4-(2,3-Dichloro-4-hydroxy-phenyl)piperazin-1-yl)butoxy)-3,4-dihydro-1H-quinolin-2-one
CID 9847259
Tetra-hydro-isoquinoline derivative 3
CID 137653313
7-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 10502413
7-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butoxy)-3,4-dihydroquinolin-2(1H)-one
CID 10692886
Tetra-hydro-isoquinoline derivative 2
CID 46829772
Tetra-hydro-isoquinoline derivative 4
CID 137652717
7-[4-[4-(2-Fluorophenyl)-1-piperazinyl]butoxy]-3,4-dihydro-2(1H)-quinolinone
CID 10715828

Frequently Asked Questions

What is the IUPAC name of 7-[4-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-[4-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one (CID 155535057) is 7-[4-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-[4-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-[4-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one is CCc1cccc(N2CCN(CCCCOc3ccc4c(c3)NC(=O)CC4)CC2)c1Cl.
What is the InChIKey of 7-[4-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is FUGWOZRGTJZGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClN3O2/c1-2-19-6-5-7-23(25(19)26)29-15-13-28(14-16-29)12-3-4-17-31-21-10-8-20-9-11-24(30)27-22(20)18-21/h5-8,10,18H,2-4,9,11-17H2,1H3,(H,27,30).
What are the key properties of 7-[4-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one?
7-[4-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 442.00 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 155535057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).