1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-8-methoxy-3,4-dihydroquinolin-2-one

C23H28ClN3O2 — CID 10740484

IUPAC1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-8-methoxy-3,4-dihydroquinolin-2-one
SMILESCOc1cccc2c1N(CCCN1CCN(c3cccc(Cl)c3)CC1)C(=O)CC2
InChIInChI=1S/C23H28ClN3O2/c1-29-21-8-2-5-18-9-10-22(28)27(23(18)21)12-4-11-25-13-15-26(16-14-25)20-7-3-6-19(24)17-20/h2-3,5-8,17H,4,9-16H2,1H3
InChIKeyYNBAHNXGNMEGKH-UHFFFAOYSA-N
MW413.95 g/mol
LogP3.84
Rot. Bonds6

About 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-8-methoxy-3,4-dihydroquinolin-2-one

1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-8-methoxy-3,4-dihydroquinolin-2-one (PubChem CID 10740484) has the molecular formula C23H28ClN3O2 and a molecular weight of 413.95 g/mol. Its IUPAC name is 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-8-methoxy-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-8-methoxy-3,4-dihydroquinolin-2-one
PubChem CID10740484
Molecular FormulaC23H28ClN3O2
Molecular Weight413.95 g/mol
Exact Mass413.19
IUPAC Name1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-8-methoxy-3,4-dihydroquinolin-2-one
SMILESCOc1cccc2c1N(CCCN1CCN(c3cccc(Cl)c3)CC1)C(=O)CC2
InChIInChI=1S/C23H28ClN3O2/c1-29-21-8-2-5-18-9-10-22(28)27(23(18)21)12-4-11-25-13-15-26(16-14-25)20-7-3-6-19(24)17-20/h2-3,5-8,17H,4,9-16H2,1H3
InChIKeyYNBAHNXGNMEGKH-UHFFFAOYSA-N
XLogP3.84
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 53.84
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]-8-methoxy-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-8-methoxy-3,4-dihydroquinolin-2-one (CID 10740484) is 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-8-methoxy-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-8-methoxy-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-8-methoxy-3,4-dihydroquinolin-2-one is COc1cccc2c1N(CCCN1CCN(c3cccc(Cl)c3)CC1)C(=O)CC2.
What is the InChIKey of 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-8-methoxy-3,4-dihydroquinolin-2-one?
The InChIKey is YNBAHNXGNMEGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O2/c1-29-21-8-2-5-18-9-10-22(28)27(23(18)21)12-4-11-25-13-15-26(16-14-25)20-7-3-6-19(24)17-20/h2-3,5-8,17H,4,9-16H2,1H3.
What are the key properties of 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-8-methoxy-3,4-dihydroquinolin-2-one?
1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-8-methoxy-3,4-dihydroquinolin-2-one has a molecular weight of 413.95 g/mol, XLogP of 3.84, 6 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]-8-methoxy-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 10740484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).