N-(4-chlorophenyl)-N,3-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide

C23H25ClN4O — CID 11774199

IUPACN-(4-chlorophenyl)-N,3-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
SMILESCc1c(N2CCN(C)CC2)nc2ccccc2c1C(=O)N(C)c1ccc(Cl)cc1
InChIInChI=1S/C23H25ClN4O/c1-16-21(23(29)27(3)18-10-8-17(24)9-11-18)19-6-4-5-7-20(19)25-22(16)28-14-12-26(2)13-15-28/h4-11H,12-15H2,1-3H3
InChIKeyMOFHAGFIUWSZCB-UHFFFAOYSA-N
MW408.93 g/mol
LogP4.23
Rot. Bonds3

About N-(4-chlorophenyl)-N,3-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide

N-(4-chlorophenyl)-N,3-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide (PubChem CID 11774199) has the molecular formula C23H25ClN4O and a molecular weight of 408.93 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N,3-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N,3-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
PubChem CID11774199
Molecular FormulaC23H25ClN4O
Molecular Weight408.93 g/mol
Exact Mass408.17
IUPAC NameN-(4-chlorophenyl)-N,3-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
SMILESCc1c(N2CCN(C)CC2)nc2ccccc2c1C(=O)N(C)c1ccc(Cl)cc1
InChIInChI=1S/C23H25ClN4O/c1-16-21(23(29)27(3)18-10-8-17(24)9-11-18)19-6-4-5-7-20(19)25-22(16)28-14-12-26(2)13-15-28/h4-11H,12-15H2,1-3H3
InChIKeyMOFHAGFIUWSZCB-UHFFFAOYSA-N
XLogP4.23
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.93
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N,3-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-N,3-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide (CID 11774199) is N-(4-chlorophenyl)-N,3-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-N,3-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-N,3-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide is Cc1c(N2CCN(C)CC2)nc2ccccc2c1C(=O)N(C)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N,3-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide?
The InChIKey is MOFHAGFIUWSZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O/c1-16-21(23(29)27(3)18-10-8-17(24)9-11-18)19-6-4-5-7-20(19)25-22(16)28-14-12-26(2)13-15-28/h4-11H,12-15H2,1-3H3.
What are the key properties of N-(4-chlorophenyl)-N,3-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide?
N-(4-chlorophenyl)-N,3-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide has a molecular weight of 408.93 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N,3-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide is sourced from PubChem (CID 11774199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).