7-[3-[4-(2,4-dimethylphenyl)piperidin-1-yl]propanoyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride

C25H31ClN2O2 — CID 13120852

IUPAC7-[3-[4-(2,4-dimethylphenyl)piperidin-1-yl]propanoyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
SMILESCc1ccc(C2CCN(CCC(=O)c3ccc4c(c3)NC(=O)CC4)CC2)c(C)c1.Cl
InChIInChI=1S/C25H30N2O2.ClH/c1-17-3-7-22(18(2)15-17)19-9-12-27(13-10-19)14-11-24(28)21-5-4-20-6-8-25(29)26-23(20)16-21;/h3-5,7,15-16,19H,6,8-14H2,1-2H3,(H,26,29);1H
InChIKeyRQVLNQWUDWGFNI-UHFFFAOYSA-N
MW426.99 g/mol
LogP5.06
Rot. Bonds5

About 7-[3-[4-(2,4-dimethylphenyl)piperidin-1-yl]propanoyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride

7-[3-[4-(2,4-dimethylphenyl)piperidin-1-yl]propanoyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride (PubChem CID 13120852) has the molecular formula C25H31ClN2O2 and a molecular weight of 426.99 g/mol. Its IUPAC name is 7-[3-[4-(2,4-dimethylphenyl)piperidin-1-yl]propanoyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride.

Molecular Properties

Compound Name7-[3-[4-(2,4-dimethylphenyl)piperidin-1-yl]propanoyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
PubChem CID13120852
Molecular FormulaC25H31ClN2O2
Molecular Weight426.99 g/mol
Exact Mass426.21
IUPAC Name7-[3-[4-(2,4-dimethylphenyl)piperidin-1-yl]propanoyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
SMILESCc1ccc(C2CCN(CCC(=O)c3ccc4c(c3)NC(=O)CC4)CC2)c(C)c1.Cl
InChIInChI=1S/C25H30N2O2.ClH/c1-17-3-7-22(18(2)15-17)19-9-12-27(13-10-19)14-11-24(28)21-5-4-20-6-8-25(29)26-23(20)16-21;/h3-5,7,15-16,19H,6,8-14H2,1-2H3,(H,26,29);1H
InChIKeyRQVLNQWUDWGFNI-UHFFFAOYSA-N
XLogP5.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.99
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-[3-[4-(2,4-dimethylphenyl)piperidin-1-yl]propanoyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride 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 7-[3-[4-(2,4-dimethylphenyl)piperidin-1-yl]propanoyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The IUPAC name of 7-[3-[4-(2,4-dimethylphenyl)piperidin-1-yl]propanoyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride (CID 13120852) is 7-[3-[4-(2,4-dimethylphenyl)piperidin-1-yl]propanoyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride.
What is the SMILES notation for 7-[3-[4-(2,4-dimethylphenyl)piperidin-1-yl]propanoyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The canonical SMILES for 7-[3-[4-(2,4-dimethylphenyl)piperidin-1-yl]propanoyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride is Cc1ccc(C2CCN(CCC(=O)c3ccc4c(c3)NC(=O)CC4)CC2)c(C)c1.Cl.
What is the InChIKey of 7-[3-[4-(2,4-dimethylphenyl)piperidin-1-yl]propanoyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The InChIKey is RQVLNQWUDWGFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2.ClH/c1-17-3-7-22(18(2)15-17)19-9-12-27(13-10-19)14-11-24(28)21-5-4-20-6-8-25(29)26-23(20)16-21;/h3-5,7,15-16,19H,6,8-14H2,1-2H3,(H,26,29);1H.
What are the key properties of 7-[3-[4-(2,4-dimethylphenyl)piperidin-1-yl]propanoyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
7-[3-[4-(2,4-dimethylphenyl)piperidin-1-yl]propanoyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride has a molecular weight of 426.99 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[4-(2,4-dimethylphenyl)piperidin-1-yl]propanoyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride is sourced from PubChem (CID 13120852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).