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

C21H30N4O — CID 11394108

IUPACN,N,3-triethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
SMILESCCc1c(N2CCN(C)CC2)nc2ccccc2c1C(=O)N(CC)CC
InChIInChI=1S/C21H30N4O/c1-5-16-19(21(26)24(6-2)7-3)17-10-8-9-11-18(17)22-20(16)25-14-12-23(4)13-15-25/h8-11H,5-7,12-15H2,1-4H3
InChIKeyLHITVBUSTSCLED-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.03
Rot. Bonds5

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

N,N,3-triethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide (PubChem CID 11394108) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is N,N,3-triethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN,N,3-triethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
PubChem CID11394108
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC NameN,N,3-triethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
SMILESCCc1c(N2CCN(C)CC2)nc2ccccc2c1C(=O)N(CC)CC
InChIInChI=1S/C21H30N4O/c1-5-16-19(21(26)24(6-2)7-3)17-10-8-9-11-18(17)22-20(16)25-14-12-23(4)13-15-25/h8-11H,5-7,12-15H2,1-4H3
InChIKeyLHITVBUSTSCLED-UHFFFAOYSA-N
XLogP3.03
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dipropylacridine-9-carboxamide
CID 170440983
N,3,4-triethyl-N-propylquinoline-2-carboxamide
CID 56994978
N,N-diethyl-2,4-dimethylquinoline-3-carboxamide
CID 10824990
N,N-diethyl-4-(3-methylquinoxalin-2-yl)piperazine-1-carboxamide
CID 108741263
9-(dimethylamino)-N,N-diethyl-5-(4-methylpiperazin-1-yl)imidazo[1,2-a][1,8]naphthyridine-6-carboxamide
CID 44819848
tert-butyl N-[2-[2-[2-[[3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carbonyl]amino]ethoxy]ethoxy]ethyl]carbamate
CID 70695733
N-ethyl-3-[(4-methyl-1-oxidopiperazin-1-ium-1-yl)methyl]-N,2-diphenylquinoline-4-carboxamide
CID 87710583
N,N-diethyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302072
N,N-diethyl-2-(hydroxymethyl)-4-phenylquinoline-3-carboxamide
CID 10854189
2-cyclohexyl-N-[2-(dimethylamino)ethyl]-N-ethyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide
CID 50791828
N,N-diethyl-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 4199357
1-(4-methylpiperazin-1-yl)isoquinoline-4-carboxylic acid
CID 106766477

Frequently Asked Questions

What is the IUPAC name of N,N,3-triethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide?
The IUPAC name of N,N,3-triethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide (CID 11394108) is N,N,3-triethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide.
What is the SMILES notation for N,N,3-triethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide?
The canonical SMILES for N,N,3-triethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide is CCc1c(N2CCN(C)CC2)nc2ccccc2c1C(=O)N(CC)CC.
What is the InChIKey of N,N,3-triethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide?
The InChIKey is LHITVBUSTSCLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-5-16-19(21(26)24(6-2)7-3)17-10-8-9-11-18(17)22-20(16)25-14-12-23(4)13-15-25/h8-11H,5-7,12-15H2,1-4H3.
What are the key properties of N,N,3-triethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide?
N,N,3-triethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide has a molecular weight of 354.50 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-triethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide is sourced from PubChem (CID 11394108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).