1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-7-methoxy-3,4-dihydroquinolin-2-one

C23H28ClN3O2 — CID 10645430

IUPAC1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-7-methoxy-3,4-dihydroquinolin-2-one
SMILESCOc1ccc2c(c1)N(CCCN1CCN(c3cccc(Cl)c3)CC1)C(=O)CC2
InChIInChI=1S/C23H28ClN3O2/c1-29-21-8-6-18-7-9-23(28)27(22(18)17-21)11-3-10-25-12-14-26(15-13-25)20-5-2-4-19(24)16-20/h2,4-6,8,16-17H,3,7,9-15H2,1H3
InChIKeyYJVKTUWPHJFRGN-UHFFFAOYSA-N
MW413.95 g/mol
LogP3.84
Rot. Bonds6

About 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-7-methoxy-3,4-dihydroquinolin-2-one

1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-7-methoxy-3,4-dihydroquinolin-2-one (PubChem CID 10645430) 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]-7-methoxy-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-7-methoxy-3,4-dihydroquinolin-2-one
PubChem CID10645430
Molecular FormulaC23H28ClN3O2
Molecular Weight413.95 g/mol
Exact Mass413.19
IUPAC Name1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-7-methoxy-3,4-dihydroquinolin-2-one
SMILESCOc1ccc2c(c1)N(CCCN1CCN(c3cccc(Cl)c3)CC1)C(=O)CC2
InChIInChI=1S/C23H28ClN3O2/c1-29-21-8-6-18-7-9-23(28)27(22(18)17-21)11-3-10-25-12-14-26(15-13-25)20-5-2-4-19(24)16-20/h2,4-6,8,16-17H,3,7,9-15H2,1H3
InChIKeyYJVKTUWPHJFRGN-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

Analyze 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-7-methoxy-3,4-dihydroquinolin-2-one with MolForge

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Related Compounds

5-chloro-1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one
CID 10549690
6-bromo-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one
CID 10766500
1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methylsulfanyl-3,4-dihydroquinolin-2-one
CID 10693902
5-amino-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;dihydrochloride
CID 19027729
7-methoxy-1-(2-piperidin-1-ylethyl)-3,4-dihydroquinolin-2-one
CID 141163160
1-ethyl-7-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydroquinolin-2-one;dihydrochloride
CID 12899515
5-methoxy-1-[3-[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one
CID 19423441
5-methoxy-1-[3-[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3,4-dihydroquinolin-2-one;dihydrochloride
CID 19423440
1-(3-chlorophenyl)-4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperazine
CID 13038826
4-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-6-methyl-1,4-benzoxazin-3-one
CID 10739734
2-[6-[4-(3-methoxyphenyl)piperazin-1-yl]hexyl]isoindole-1,3-dione
CID 164621183
1-(hydroxymethyl)-7-methoxy-3,4-dihydroquinolin-2-one
CID 135138136

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-7-methoxy-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-7-methoxy-3,4-dihydroquinolin-2-one (CID 10645430) is 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-7-methoxy-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-7-methoxy-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-7-methoxy-3,4-dihydroquinolin-2-one is COc1ccc2c(c1)N(CCCN1CCN(c3cccc(Cl)c3)CC1)C(=O)CC2.
What is the InChIKey of 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-7-methoxy-3,4-dihydroquinolin-2-one?
The InChIKey is YJVKTUWPHJFRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O2/c1-29-21-8-6-18-7-9-23(28)27(22(18)17-21)11-3-10-25-12-14-26(15-13-25)20-5-2-4-19(24)16-20/h2,4-6,8,16-17H,3,7,9-15H2,1H3.
What are the key properties of 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-7-methoxy-3,4-dihydroquinolin-2-one?
1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-7-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]-7-methoxy-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 10645430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).