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

C23H28ClN3O2 — CID 10573806

IUPAC7-[4-[4-(3-chlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4)CC3)cc2N1
InChIInChI=1S/C23H28ClN3O2/c24-19-4-3-5-20(16-19)27-13-11-26(12-14-27)10-1-2-15-29-21-8-6-18-7-9-23(28)25-22(18)17-21/h3-6,8,16-17H,1-2,7,9-15H2,(H,25,28)
InChIKeySHHUSQIOAKPGMO-UHFFFAOYSA-N
MW413.95 g/mol
LogP4.21
Rot. Bonds7

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

7-[4-[4-(3-chlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 10573806) has the molecular formula C23H28ClN3O2 and a molecular weight of 413.95 g/mol. Its IUPAC name is 7-[4-[4-(3-chlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[4-[4-(3-chlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID10573806
Molecular FormulaC23H28ClN3O2
Molecular Weight413.95 g/mol
Exact Mass413.19
IUPAC Name7-[4-[4-(3-chlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4)CC3)cc2N1
InChIInChI=1S/C23H28ClN3O2/c24-19-4-3-5-20(16-19)27-13-11-26(12-14-27)10-1-2-15-29-21-8-6-18-7-9-23(28)25-22(18)17-21/h3-6,8,16-17H,1-2,7,9-15H2,(H,25,28)
InChIKeySHHUSQIOAKPGMO-UHFFFAOYSA-N
XLogP4.21
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[4-(3-chlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-[4-[4-(3-chlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one (CID 10573806) is 7-[4-[4-(3-chlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-[4-[4-(3-chlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-[4-[4-(3-chlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4)CC3)cc2N1.
What is the InChIKey of 7-[4-[4-(3-chlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is SHHUSQIOAKPGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O2/c24-19-4-3-5-20(16-19)27-13-11-26(12-14-27)10-1-2-15-29-21-8-6-18-7-9-23(28)25-22(18)17-21/h3-6,8,16-17H,1-2,7,9-15H2,(H,25,28).
What are the key properties of 7-[4-[4-(3-chlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one?
7-[4-[4-(3-chlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 413.95 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[4-(3-chlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 10573806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).