N-(4-ethylphenyl)-4-quinolin-8-ylpiperazine-1-carboxamide

C22H24N4O — CID 113112168

IUPACN-(4-ethylphenyl)-4-quinolin-8-ylpiperazine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCN(c3cccc4cccnc34)CC2)cc1
InChIInChI=1S/C22H24N4O/c1-2-17-8-10-19(11-9-17)24-22(27)26-15-13-25(14-16-26)20-7-3-5-18-6-4-12-23-21(18)20/h3-12H,2,13-16H2,1H3,(H,24,27)
InChIKeyKVPRSWQMBWVXOQ-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.15
Rot. Bonds3

About N-(4-ethylphenyl)-4-quinolin-8-ylpiperazine-1-carboxamide

N-(4-ethylphenyl)-4-quinolin-8-ylpiperazine-1-carboxamide (PubChem CID 113112168) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-quinolin-8-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4-quinolin-8-ylpiperazine-1-carboxamide
PubChem CID113112168
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-(4-ethylphenyl)-4-quinolin-8-ylpiperazine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCN(c3cccc4cccnc34)CC2)cc1
InChIInChI=1S/C22H24N4O/c1-2-17-8-10-19(11-9-17)24-22(27)26-15-13-25(14-16-26)20-7-3-5-18-6-4-12-23-21(18)20/h3-12H,2,13-16H2,1H3,(H,24,27)
InChIKeyKVPRSWQMBWVXOQ-UHFFFAOYSA-N
XLogP4.15
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113103296
N-(4-ethylphenyl)-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
CID 83274086
1-(4-quinolin-8-ylpiperazin-1-yl)propan-1-one
CID 113079712
N-(2-methylpropyl)-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113104125
N-[(4-chlorophenyl)methyl]-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113107984
N-(2,4-dimethylphenyl)-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113111498
4-(2-cyanophenyl)-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 113112174
N-cycloheptyl-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113110634
N-(1-phenylethyl)-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113107350
N-(4-ethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334280
4-(7H-cyclopenta[d]pyrimidin-4-yl)-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 159867940
8-(4-methylpiperazin-1-yl)quinoline
CID 20701166

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4-quinolin-8-ylpiperazine-1-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-4-quinolin-8-ylpiperazine-1-carboxamide (CID 113112168) is N-(4-ethylphenyl)-4-quinolin-8-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-4-quinolin-8-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-4-quinolin-8-ylpiperazine-1-carboxamide is CCc1ccc(NC(=O)N2CCN(c3cccc4cccnc34)CC2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4-quinolin-8-ylpiperazine-1-carboxamide?
The InChIKey is KVPRSWQMBWVXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-2-17-8-10-19(11-9-17)24-22(27)26-15-13-25(14-16-26)20-7-3-5-18-6-4-12-23-21(18)20/h3-12H,2,13-16H2,1H3,(H,24,27).
What are the key properties of N-(4-ethylphenyl)-4-quinolin-8-ylpiperazine-1-carboxamide?
N-(4-ethylphenyl)-4-quinolin-8-ylpiperazine-1-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4-quinolin-8-ylpiperazine-1-carboxamide is sourced from PubChem (CID 113112168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).