N,N-diethyl-3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide

C20H28N4O — CID 11739328

IUPACN,N-diethyl-3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
SMILESCCN(CC)C(=O)c1c(C)c(N2CCN(C)CC2)nc2ccccc12
InChIInChI=1S/C20H28N4O/c1-5-23(6-2)20(25)18-15(3)19(24-13-11-22(4)12-14-24)21-17-10-8-7-9-16(17)18/h7-10H,5-6,11-14H2,1-4H3
InChIKeyZCOXWNWPDOMLDQ-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.78
Rot. Bonds4

About N,N-diethyl-3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide

N,N-diethyl-3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide (PubChem CID 11739328) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N,N-diethyl-3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
PubChem CID11739328
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN,N-diethyl-3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
SMILESCCN(CC)C(=O)c1c(C)c(N2CCN(C)CC2)nc2ccccc12
InChIInChI=1S/C20H28N4O/c1-5-23(6-2)20(25)18-15(3)19(24-13-11-22(4)12-14-24)21-17-10-8-7-9-16(17)18/h7-10H,5-6,11-14H2,1-4H3
InChIKeyZCOXWNWPDOMLDQ-UHFFFAOYSA-N
XLogP2.78
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide?
The IUPAC name of N,N-diethyl-3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide (CID 11739328) is N,N-diethyl-3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide.
What is the SMILES notation for N,N-diethyl-3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide?
The canonical SMILES for N,N-diethyl-3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide is CCN(CC)C(=O)c1c(C)c(N2CCN(C)CC2)nc2ccccc12.
What is the InChIKey of N,N-diethyl-3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide?
The InChIKey is ZCOXWNWPDOMLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-5-23(6-2)20(25)18-15(3)19(24-13-11-22(4)12-14-24)21-17-10-8-7-9-16(17)18/h7-10H,5-6,11-14H2,1-4H3.
What are the key properties of N,N-diethyl-3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide?
N,N-diethyl-3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide is sourced from PubChem (CID 11739328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).