N-(4-methoxyphenyl)-4-(quinolin-3-ylmethyl)piperazine-1-carboxamide

C22H24N4O2 — CID 11588903

IUPACN-(4-methoxyphenyl)-4-(quinolin-3-ylmethyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(Cc3cnc4ccccc4c3)CC2)cc1
InChIInChI=1S/C22H24N4O2/c1-28-20-8-6-19(7-9-20)24-22(27)26-12-10-25(11-13-26)16-17-14-18-4-2-3-5-21(18)23-15-17/h2-9,14-15H,10-13,16H2,1H3,(H,24,27)
InChIKeyJENRGVLXGYITFH-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.59
Rot. Bonds4

About N-(4-methoxyphenyl)-4-(quinolin-3-ylmethyl)piperazine-1-carboxamide

N-(4-methoxyphenyl)-4-(quinolin-3-ylmethyl)piperazine-1-carboxamide (PubChem CID 11588903) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-(quinolin-3-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-(quinolin-3-ylmethyl)piperazine-1-carboxamide
PubChem CID11588903
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-(4-methoxyphenyl)-4-(quinolin-3-ylmethyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(Cc3cnc4ccccc4c3)CC2)cc1
InChIInChI=1S/C22H24N4O2/c1-28-20-8-6-19(7-9-20)24-22(27)26-12-10-25(11-13-26)16-17-14-18-4-2-3-5-21(18)23-15-17/h2-9,14-15H,10-13,16H2,1H3,(H,24,27)
InChIKeyJENRGVLXGYITFH-UHFFFAOYSA-N
XLogP3.59
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-methoxyphenyl)-4-(quinolin-3-ylmethyl)piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-(quinolin-3-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-4-(quinolin-3-ylmethyl)piperazine-1-carboxamide (CID 11588903) is N-(4-methoxyphenyl)-4-(quinolin-3-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-(quinolin-3-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-(quinolin-3-ylmethyl)piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(Cc3cnc4ccccc4c3)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-(quinolin-3-ylmethyl)piperazine-1-carboxamide?
The InChIKey is JENRGVLXGYITFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-28-20-8-6-19(7-9-20)24-22(27)26-12-10-25(11-13-26)16-17-14-18-4-2-3-5-21(18)23-15-17/h2-9,14-15H,10-13,16H2,1H3,(H,24,27).
What are the key properties of N-(4-methoxyphenyl)-4-(quinolin-3-ylmethyl)piperazine-1-carboxamide?
N-(4-methoxyphenyl)-4-(quinolin-3-ylmethyl)piperazine-1-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-(quinolin-3-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 11588903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).