N-(2,4-dimethylphenyl)-4-quinolin-8-ylpiperazine-1-carboxamide

C22H24N4O — CID 113111498

IUPACN-(2,4-dimethylphenyl)-4-quinolin-8-ylpiperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3cccc4cccnc34)CC2)c(C)c1
InChIInChI=1S/C22H24N4O/c1-16-8-9-19(17(2)15-16)24-22(27)26-13-11-25(12-14-26)20-7-3-5-18-6-4-10-23-21(18)20/h3-10,15H,11-14H2,1-2H3,(H,24,27)
InChIKeyWTAKUBBCXVMIQZ-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.21
Rot. Bonds2

About N-(2,4-dimethylphenyl)-4-quinolin-8-ylpiperazine-1-carboxamide

N-(2,4-dimethylphenyl)-4-quinolin-8-ylpiperazine-1-carboxamide (PubChem CID 113111498) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-4-quinolin-8-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-4-quinolin-8-ylpiperazine-1-carboxamide
PubChem CID113111498
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-(2,4-dimethylphenyl)-4-quinolin-8-ylpiperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3cccc4cccnc34)CC2)c(C)c1
InChIInChI=1S/C22H24N4O/c1-16-8-9-19(17(2)15-16)24-22(27)26-13-11-25(12-14-26)20-7-3-5-18-6-4-10-23-21(18)20/h3-10,15H,11-14H2,1-2H3,(H,24,27)
InChIKeyWTAKUBBCXVMIQZ-UHFFFAOYSA-N
XLogP4.21
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113111479
N-(2,4-dimethylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113111461
N-(4-ethylphenyl)-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113112168
N-propyl-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113103296
N-(2-methylpropyl)-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113104125
N-(2,4-dimethylphenyl)-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113111475
N-(2,4-dimethylphenyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56921853
N-cycloheptyl-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113110634
1-(4-quinolin-8-ylpiperazin-1-yl)propan-1-one
CID 113079712
N-(1-phenylethyl)-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113107350
quinolin-8-yl N-(2,4-dimethylphenyl)carbamate
CID 3307290
4-(2,4-dimethoxyphenyl)-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113114017

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-4-quinolin-8-ylpiperazine-1-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-4-quinolin-8-ylpiperazine-1-carboxamide (CID 113111498) is N-(2,4-dimethylphenyl)-4-quinolin-8-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-4-quinolin-8-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-4-quinolin-8-ylpiperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(c3cccc4cccnc34)CC2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-4-quinolin-8-ylpiperazine-1-carboxamide?
The InChIKey is WTAKUBBCXVMIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-16-8-9-19(17(2)15-16)24-22(27)26-13-11-25(12-14-26)20-7-3-5-18-6-4-10-23-21(18)20/h3-10,15H,11-14H2,1-2H3,(H,24,27).
What are the key properties of N-(2,4-dimethylphenyl)-4-quinolin-8-ylpiperazine-1-carboxamide?
N-(2,4-dimethylphenyl)-4-quinolin-8-ylpiperazine-1-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-4-quinolin-8-ylpiperazine-1-carboxamide is sourced from PubChem (CID 113111498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).