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

C19H26N4O — CID 11461561

IUPACN,N-diethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(N2CCN(C)CC2)nc2ccccc12
InChIInChI=1S/C19H26N4O/c1-4-22(5-2)19(24)16-14-18(23-12-10-21(3)11-13-23)20-17-9-7-6-8-15(16)17/h6-9,14H,4-5,10-13H2,1-3H3
InChIKeyZXPJAGFGRMDIOY-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.47
Rot. Bonds4

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

N,N-diethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide (PubChem CID 11461561) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N,N-diethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
PubChem CID11461561
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN,N-diethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(N2CCN(C)CC2)nc2ccccc12
InChIInChI=1S/C19H26N4O/c1-4-22(5-2)19(24)16-14-18(23-12-10-21(3)11-13-23)20-17-9-7-6-8-15(16)17/h6-9,14H,4-5,10-13H2,1-3H3
InChIKeyZXPJAGFGRMDIOY-UHFFFAOYSA-N
XLogP2.47
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide?
The IUPAC name of N,N-diethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide (CID 11461561) is N,N-diethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide.
What is the SMILES notation for N,N-diethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide?
The canonical SMILES for N,N-diethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide is CCN(CC)C(=O)c1cc(N2CCN(C)CC2)nc2ccccc12.
What is the InChIKey of N,N-diethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide?
The InChIKey is ZXPJAGFGRMDIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-4-22(5-2)19(24)16-14-18(23-12-10-21(3)11-13-23)20-17-9-7-6-8-15(16)17/h6-9,14H,4-5,10-13H2,1-3H3.
What are the key properties of N,N-diethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide?
N,N-diethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide is sourced from PubChem (CID 11461561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).