3-methyl-2-phenyl-6-piperidin-1-yl-1H-quinolin-4-one

C21H22N2O — CID 56673740

IUPAC3-methyl-2-phenyl-6-piperidin-1-yl-1H-quinolin-4-one
SMILESCc1c(-c2ccccc2)[nH]c2ccc(N3CCCCC3)cc2c1=O
InChIInChI=1S/C21H22N2O/c1-15-20(16-8-4-2-5-9-16)22-19-11-10-17(14-18(19)21(15)24)23-12-6-3-7-13-23/h2,4-5,8-11,14H,3,6-7,12-13H2,1H3,(H,22,24)
InChIKeyCQIBRRCKPSAJLN-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.49
Rot. Bonds2

About 3-methyl-2-phenyl-6-piperidin-1-yl-1H-quinolin-4-one

3-methyl-2-phenyl-6-piperidin-1-yl-1H-quinolin-4-one (PubChem CID 56673740) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-methyl-2-phenyl-6-piperidin-1-yl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-methyl-2-phenyl-6-piperidin-1-yl-1H-quinolin-4-one
PubChem CID56673740
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name3-methyl-2-phenyl-6-piperidin-1-yl-1H-quinolin-4-one
SMILESCc1c(-c2ccccc2)[nH]c2ccc(N3CCCCC3)cc2c1=O
InChIInChI=1S/C21H22N2O/c1-15-20(16-8-4-2-5-9-16)22-19-11-10-17(14-18(19)21(15)24)23-12-6-3-7-13-23/h2,4-5,8-11,14H,3,6-7,12-13H2,1H3,(H,22,24)
InChIKeyCQIBRRCKPSAJLN-UHFFFAOYSA-N
XLogP4.49
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-2-phenyl-6-piperidin-1-yl-1H-quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenyl-6-piperidin-1-yl-1H-quinolin-4-one?
The IUPAC name of 3-methyl-2-phenyl-6-piperidin-1-yl-1H-quinolin-4-one (CID 56673740) is 3-methyl-2-phenyl-6-piperidin-1-yl-1H-quinolin-4-one.
What is the SMILES notation for 3-methyl-2-phenyl-6-piperidin-1-yl-1H-quinolin-4-one?
The canonical SMILES for 3-methyl-2-phenyl-6-piperidin-1-yl-1H-quinolin-4-one is Cc1c(-c2ccccc2)[nH]c2ccc(N3CCCCC3)cc2c1=O.
What is the InChIKey of 3-methyl-2-phenyl-6-piperidin-1-yl-1H-quinolin-4-one?
The InChIKey is CQIBRRCKPSAJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-15-20(16-8-4-2-5-9-16)22-19-11-10-17(14-18(19)21(15)24)23-12-6-3-7-13-23/h2,4-5,8-11,14H,3,6-7,12-13H2,1H3,(H,22,24).
What are the key properties of 3-methyl-2-phenyl-6-piperidin-1-yl-1H-quinolin-4-one?
3-methyl-2-phenyl-6-piperidin-1-yl-1H-quinolin-4-one has a molecular weight of 318.42 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenyl-6-piperidin-1-yl-1H-quinolin-4-one is sourced from PubChem (CID 56673740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).