1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethoxy-3,4-dihydroquinolin-2-one

C24H30ClN3O2 — CID 10502625

IUPAC1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethoxy-3,4-dihydroquinolin-2-one
SMILESCCOc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C24H30ClN3O2/c1-2-30-23-9-4-8-22-21(23)10-11-24(29)28(22)13-5-12-26-14-16-27(17-15-26)20-7-3-6-19(25)18-20/h3-4,6-9,18H,2,5,10-17H2,1H3
InChIKeyXUERVGJGYIHFQZ-UHFFFAOYSA-N
MW427.98 g/mol
LogP4.23
Rot. Bonds7

About 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethoxy-3,4-dihydroquinolin-2-one

1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethoxy-3,4-dihydroquinolin-2-one (PubChem CID 10502625) has the molecular formula C24H30ClN3O2 and a molecular weight of 427.98 g/mol. Its IUPAC name is 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethoxy-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethoxy-3,4-dihydroquinolin-2-one
PubChem CID10502625
Molecular FormulaC24H30ClN3O2
Molecular Weight427.98 g/mol
Exact Mass427.20
IUPAC Name1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethoxy-3,4-dihydroquinolin-2-one
SMILESCCOc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C24H30ClN3O2/c1-2-30-23-9-4-8-22-21(23)10-11-24(29)28(22)13-5-12-26-14-16-27(17-15-26)20-7-3-6-19(25)18-20/h3-4,6-9,18H,2,5,10-17H2,1H3
InChIKeyXUERVGJGYIHFQZ-UHFFFAOYSA-N
XLogP4.23
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.98
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethoxy-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethoxy-3,4-dihydroquinolin-2-one (CID 10502625) is 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethoxy-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethoxy-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethoxy-3,4-dihydroquinolin-2-one is CCOc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethoxy-3,4-dihydroquinolin-2-one?
The InChIKey is XUERVGJGYIHFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O2/c1-2-30-23-9-4-8-22-21(23)10-11-24(29)28(22)13-5-12-26-14-16-27(17-15-26)20-7-3-6-19(25)18-20/h3-4,6-9,18H,2,5,10-17H2,1H3.
What are the key properties of 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethoxy-3,4-dihydroquinolin-2-one?
1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethoxy-3,4-dihydroquinolin-2-one has a molecular weight of 427.98 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethoxy-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 10502625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).