1-(1-benzylpiperidin-4-yl)-6-methylquinolin-2-one;hydrochloride

C22H25ClN2O — CID 19030841

IUPAC1-(1-benzylpiperidin-4-yl)-6-methylquinolin-2-one;hydrochloride
SMILESCc1ccc2c(ccc(=O)n2C2CCN(Cc3ccccc3)CC2)c1.Cl
InChIInChI=1S/C22H24N2O.ClH/c1-17-7-9-21-19(15-17)8-10-22(25)24(21)20-11-13-23(14-12-20)16-18-5-3-2-4-6-18;/h2-10,15,20H,11-14,16H2,1H3;1H
InChIKeyLPGZJWMHEGPWHO-UHFFFAOYSA-N
MW368.91 g/mol
LogP4.57
Rot. Bonds3

About 1-(1-benzylpiperidin-4-yl)-6-methylquinolin-2-one;hydrochloride

1-(1-benzylpiperidin-4-yl)-6-methylquinolin-2-one;hydrochloride (PubChem CID 19030841) has the molecular formula C22H25ClN2O and a molecular weight of 368.91 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-6-methylquinolin-2-one;hydrochloride.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-6-methylquinolin-2-one;hydrochloride
PubChem CID19030841
Molecular FormulaC22H25ClN2O
Molecular Weight368.91 g/mol
Exact Mass368.17
IUPAC Name1-(1-benzylpiperidin-4-yl)-6-methylquinolin-2-one;hydrochloride
SMILESCc1ccc2c(ccc(=O)n2C2CCN(Cc3ccccc3)CC2)c1.Cl
InChIInChI=1S/C22H24N2O.ClH/c1-17-7-9-21-19(15-17)8-10-22(25)24(21)20-11-13-23(14-12-20)16-18-5-3-2-4-6-18;/h2-10,15,20H,11-14,16H2,1H3;1H
InChIKeyLPGZJWMHEGPWHO-UHFFFAOYSA-N
XLogP4.57
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-6-methylquinolin-2-one;hydrochloride?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-6-methylquinolin-2-one;hydrochloride (CID 19030841) is 1-(1-benzylpiperidin-4-yl)-6-methylquinolin-2-one;hydrochloride.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-6-methylquinolin-2-one;hydrochloride?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-6-methylquinolin-2-one;hydrochloride is Cc1ccc2c(ccc(=O)n2C2CCN(Cc3ccccc3)CC2)c1.Cl.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-6-methylquinolin-2-one;hydrochloride?
The InChIKey is LPGZJWMHEGPWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O.ClH/c1-17-7-9-21-19(15-17)8-10-22(25)24(21)20-11-13-23(14-12-20)16-18-5-3-2-4-6-18;/h2-10,15,20H,11-14,16H2,1H3;1H.
What are the key properties of 1-(1-benzylpiperidin-4-yl)-6-methylquinolin-2-one;hydrochloride?
1-(1-benzylpiperidin-4-yl)-6-methylquinolin-2-one;hydrochloride has a molecular weight of 368.91 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-6-methylquinolin-2-one;hydrochloride is sourced from PubChem (CID 19030841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).