7-chloro-8-methyl-N-(1-methylpiperidin-4-yl)-2-phenylquinoline-4-carboxamide

C23H24ClN3O — CID 17372346

IUPAC7-chloro-8-methyl-N-(1-methylpiperidin-4-yl)-2-phenylquinoline-4-carboxamide
SMILESCc1c(Cl)ccc2c(C(=O)NC3CCN(C)CC3)cc(-c3ccccc3)nc12
InChIInChI=1S/C23H24ClN3O/c1-15-20(24)9-8-18-19(23(28)25-17-10-12-27(2)13-11-17)14-21(26-22(15)18)16-6-4-3-5-7-16/h3-9,14,17H,10-13H2,1-2H3,(H,25,28)
InChIKeyIWCVDZWJRJDWRH-UHFFFAOYSA-N
MW393.92 g/mol
LogP4.69
Rot. Bonds3

About 7-chloro-8-methyl-N-(1-methylpiperidin-4-yl)-2-phenylquinoline-4-carboxamide

7-chloro-8-methyl-N-(1-methylpiperidin-4-yl)-2-phenylquinoline-4-carboxamide (PubChem CID 17372346) has the molecular formula C23H24ClN3O and a molecular weight of 393.92 g/mol. Its IUPAC name is 7-chloro-8-methyl-N-(1-methylpiperidin-4-yl)-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound Name7-chloro-8-methyl-N-(1-methylpiperidin-4-yl)-2-phenylquinoline-4-carboxamide
PubChem CID17372346
Molecular FormulaC23H24ClN3O
Molecular Weight393.92 g/mol
Exact Mass393.16
IUPAC Name7-chloro-8-methyl-N-(1-methylpiperidin-4-yl)-2-phenylquinoline-4-carboxamide
SMILESCc1c(Cl)ccc2c(C(=O)NC3CCN(C)CC3)cc(-c3ccccc3)nc12
InChIInChI=1S/C23H24ClN3O/c1-15-20(24)9-8-18-19(23(28)25-17-10-12-27(2)13-11-17)14-21(26-22(15)18)16-6-4-3-5-7-16/h3-9,14,17H,10-13H2,1-2H3,(H,25,28)
InChIKeyIWCVDZWJRJDWRH-UHFFFAOYSA-N
XLogP4.69
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-8-methyl-N-(1-methylpiperidin-4-yl)-2-phenylquinoline-4-carboxamide?
The IUPAC name of 7-chloro-8-methyl-N-(1-methylpiperidin-4-yl)-2-phenylquinoline-4-carboxamide (CID 17372346) is 7-chloro-8-methyl-N-(1-methylpiperidin-4-yl)-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for 7-chloro-8-methyl-N-(1-methylpiperidin-4-yl)-2-phenylquinoline-4-carboxamide?
The canonical SMILES for 7-chloro-8-methyl-N-(1-methylpiperidin-4-yl)-2-phenylquinoline-4-carboxamide is Cc1c(Cl)ccc2c(C(=O)NC3CCN(C)CC3)cc(-c3ccccc3)nc12.
What is the InChIKey of 7-chloro-8-methyl-N-(1-methylpiperidin-4-yl)-2-phenylquinoline-4-carboxamide?
The InChIKey is IWCVDZWJRJDWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O/c1-15-20(24)9-8-18-19(23(28)25-17-10-12-27(2)13-11-17)14-21(26-22(15)18)16-6-4-3-5-7-16/h3-9,14,17H,10-13H2,1-2H3,(H,25,28).
What are the key properties of 7-chloro-8-methyl-N-(1-methylpiperidin-4-yl)-2-phenylquinoline-4-carboxamide?
7-chloro-8-methyl-N-(1-methylpiperidin-4-yl)-2-phenylquinoline-4-carboxamide has a molecular weight of 393.92 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-methyl-N-(1-methylpiperidin-4-yl)-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 17372346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).