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

C24H28N4O — CID 11222968

IUPACN-benzyl-N,3-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
SMILESCc1c(N2CCN(C)CC2)nc2ccccc2c1C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C24H28N4O/c1-18-22(24(29)27(3)17-19-9-5-4-6-10-19)20-11-7-8-12-21(20)25-23(18)28-15-13-26(2)14-16-28/h4-12H,13-17H2,1-3H3
InChIKeyKZYHORAOHSXDGV-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.57
Rot. Bonds4

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

N-benzyl-N,3-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide (PubChem CID 11222968) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is N-benzyl-N,3-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N,3-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
PubChem CID11222968
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC NameN-benzyl-N,3-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
SMILESCc1c(N2CCN(C)CC2)nc2ccccc2c1C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C24H28N4O/c1-18-22(24(29)27(3)17-19-9-5-4-6-10-19)20-11-7-8-12-21(20)25-23(18)28-15-13-26(2)14-16-28/h4-12H,13-17H2,1-3H3
InChIKeyKZYHORAOHSXDGV-UHFFFAOYSA-N
XLogP3.57
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,3-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide?
The IUPAC name of N-benzyl-N,3-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide (CID 11222968) is N-benzyl-N,3-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-benzyl-N,3-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide?
The canonical SMILES for N-benzyl-N,3-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide is Cc1c(N2CCN(C)CC2)nc2ccccc2c1C(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N,3-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide?
The InChIKey is KZYHORAOHSXDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-18-22(24(29)27(3)17-19-9-5-4-6-10-19)20-11-7-8-12-21(20)25-23(18)28-15-13-26(2)14-16-28/h4-12H,13-17H2,1-3H3.
What are the key properties of N-benzyl-N,3-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide?
N-benzyl-N,3-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide has a molecular weight of 388.52 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,3-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide is sourced from PubChem (CID 11222968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).