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

C22H24N4O — CID 113107350

IUPACN-(1-phenylethyl)-4-quinolin-8-ylpiperazine-1-carboxamide
SMILESCC(NC(=O)N1CCN(c2cccc3cccnc23)CC1)c1ccccc1
InChIInChI=1S/C22H24N4O/c1-17(18-7-3-2-4-8-18)24-22(27)26-15-13-25(14-16-26)20-11-5-9-19-10-6-12-23-21(19)20/h2-12,17H,13-16H2,1H3,(H,24,27)
InChIKeyVIRGJAGNORGVCQ-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.83
Rot. Bonds3

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

N-(1-phenylethyl)-4-quinolin-8-ylpiperazine-1-carboxamide (PubChem CID 113107350) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(1-phenylethyl)-4-quinolin-8-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-4-quinolin-8-ylpiperazine-1-carboxamide
PubChem CID113107350
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-(1-phenylethyl)-4-quinolin-8-ylpiperazine-1-carboxamide
SMILESCC(NC(=O)N1CCN(c2cccc3cccnc23)CC1)c1ccccc1
InChIInChI=1S/C22H24N4O/c1-17(18-7-3-2-4-8-18)24-22(27)26-15-13-25(14-16-26)20-11-5-9-19-10-6-12-23-21(19)20/h2-12,17H,13-16H2,1H3,(H,24,27)
InChIKeyVIRGJAGNORGVCQ-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpropyl)-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113104125
N-(1-phenylethyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108988786
N-propyl-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113103296
N-cycloheptyl-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113110634
1-(4-quinolin-8-ylpiperazin-1-yl)propan-1-one
CID 113079712
N-(4-ethylphenyl)-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113112168
N-(1-phenylethyl)quinoline-8-carboxamide
CID 51180563
N-(1-phenylethyl)pyrrolidine-1-carboxamide
CID 108987850
N-(2,4-dimethylphenyl)-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113111498
4-(4-methoxyphenyl)-N-(1-phenylethyl)piperazine-1-carboxamide
CID 108988796
N-[(4-chlorophenyl)methyl]-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113107984
N-[1-(4-tert-butylphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 60543582

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-4-quinolin-8-ylpiperazine-1-carboxamide?
The IUPAC name of N-(1-phenylethyl)-4-quinolin-8-ylpiperazine-1-carboxamide (CID 113107350) is N-(1-phenylethyl)-4-quinolin-8-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)-4-quinolin-8-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(1-phenylethyl)-4-quinolin-8-ylpiperazine-1-carboxamide is CC(NC(=O)N1CCN(c2cccc3cccnc23)CC1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-4-quinolin-8-ylpiperazine-1-carboxamide?
The InChIKey is VIRGJAGNORGVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-17(18-7-3-2-4-8-18)24-22(27)26-15-13-25(14-16-26)20-11-5-9-19-10-6-12-23-21(19)20/h2-12,17H,13-16H2,1H3,(H,24,27).
What are the key properties of N-(1-phenylethyl)-4-quinolin-8-ylpiperazine-1-carboxamide?
N-(1-phenylethyl)-4-quinolin-8-ylpiperazine-1-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-4-quinolin-8-ylpiperazine-1-carboxamide is sourced from PubChem (CID 113107350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).