6-[3-[4-(4-chlorophenyl)piperidin-1-yl]propoxy]-4-methyl-1H-quinolin-2-one

C24H27ClN2O2 — CID 13064804

IUPAC6-[3-[4-(4-chlorophenyl)piperidin-1-yl]propoxy]-4-methyl-1H-quinolin-2-one
SMILESCc1cc(=O)[nH]c2ccc(OCCCN3CCC(c4ccc(Cl)cc4)CC3)cc12
InChIInChI=1S/C24H27ClN2O2/c1-17-15-24(28)26-23-8-7-21(16-22(17)23)29-14-2-11-27-12-9-19(10-13-27)18-3-5-20(25)6-4-18/h3-8,15-16,19H,2,9-14H2,1H3,(H,26,28)
InChIKeyOFCHSWJLZFAPHT-UHFFFAOYSA-N
MW410.95 g/mol
LogP5.14
Rot. Bonds6

About 6-[3-[4-(4-chlorophenyl)piperidin-1-yl]propoxy]-4-methyl-1H-quinolin-2-one

6-[3-[4-(4-chlorophenyl)piperidin-1-yl]propoxy]-4-methyl-1H-quinolin-2-one (PubChem CID 13064804) has the molecular formula C24H27ClN2O2 and a molecular weight of 410.95 g/mol. Its IUPAC name is 6-[3-[4-(4-chlorophenyl)piperidin-1-yl]propoxy]-4-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[3-[4-(4-chlorophenyl)piperidin-1-yl]propoxy]-4-methyl-1H-quinolin-2-one
PubChem CID13064804
Molecular FormulaC24H27ClN2O2
Molecular Weight410.95 g/mol
Exact Mass410.18
IUPAC Name6-[3-[4-(4-chlorophenyl)piperidin-1-yl]propoxy]-4-methyl-1H-quinolin-2-one
SMILESCc1cc(=O)[nH]c2ccc(OCCCN3CCC(c4ccc(Cl)cc4)CC3)cc12
InChIInChI=1S/C24H27ClN2O2/c1-17-15-24(28)26-23-8-7-21(16-22(17)23)29-14-2-11-27-12-9-19(10-13-27)18-3-5-20(25)6-4-18/h3-8,15-16,19H,2,9-14H2,1H3,(H,26,28)
InChIKeyOFCHSWJLZFAPHT-UHFFFAOYSA-N
XLogP5.14
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.95
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 6-[3-[4-(4-chlorophenyl)piperidin-1-yl]propoxy]-4-methyl-1H-quinolin-2-one?
The IUPAC name of 6-[3-[4-(4-chlorophenyl)piperidin-1-yl]propoxy]-4-methyl-1H-quinolin-2-one (CID 13064804) is 6-[3-[4-(4-chlorophenyl)piperidin-1-yl]propoxy]-4-methyl-1H-quinolin-2-one.
What is the SMILES notation for 6-[3-[4-(4-chlorophenyl)piperidin-1-yl]propoxy]-4-methyl-1H-quinolin-2-one?
The canonical SMILES for 6-[3-[4-(4-chlorophenyl)piperidin-1-yl]propoxy]-4-methyl-1H-quinolin-2-one is Cc1cc(=O)[nH]c2ccc(OCCCN3CCC(c4ccc(Cl)cc4)CC3)cc12.
What is the InChIKey of 6-[3-[4-(4-chlorophenyl)piperidin-1-yl]propoxy]-4-methyl-1H-quinolin-2-one?
The InChIKey is OFCHSWJLZFAPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O2/c1-17-15-24(28)26-23-8-7-21(16-22(17)23)29-14-2-11-27-12-9-19(10-13-27)18-3-5-20(25)6-4-18/h3-8,15-16,19H,2,9-14H2,1H3,(H,26,28).
What are the key properties of 6-[3-[4-(4-chlorophenyl)piperidin-1-yl]propoxy]-4-methyl-1H-quinolin-2-one?
6-[3-[4-(4-chlorophenyl)piperidin-1-yl]propoxy]-4-methyl-1H-quinolin-2-one has a molecular weight of 410.95 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4-(4-chlorophenyl)piperidin-1-yl]propoxy]-4-methyl-1H-quinolin-2-one is sourced from PubChem (CID 13064804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).