N-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinoxaline-2-carboxamide

C22H21ClN4O — CID 90655811

IUPACN-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinoxaline-2-carboxamide
SMILESO=C(NCCN1CC=C(c2ccc(Cl)cc2)CC1)c1cnc2ccccc2n1
InChIInChI=1S/C22H21ClN4O/c23-18-7-5-16(6-8-18)17-9-12-27(13-10-17)14-11-24-22(28)21-15-25-19-3-1-2-4-20(19)26-21/h1-9,15H,10-14H2,(H,24,28)
InChIKeyWHRCPERZVQMREI-UHFFFAOYSA-N
MW392.89 g/mol
LogP3.80
Rot. Bonds5

About N-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinoxaline-2-carboxamide

N-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinoxaline-2-carboxamide (PubChem CID 90655811) has the molecular formula C22H21ClN4O and a molecular weight of 392.89 g/mol. Its IUPAC name is N-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinoxaline-2-carboxamide
PubChem CID90655811
Molecular FormulaC22H21ClN4O
Molecular Weight392.89 g/mol
Exact Mass392.14
IUPAC NameN-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinoxaline-2-carboxamide
SMILESO=C(NCCN1CC=C(c2ccc(Cl)cc2)CC1)c1cnc2ccccc2n1
InChIInChI=1S/C22H21ClN4O/c23-18-7-5-16(6-8-18)17-9-12-27(13-10-17)14-11-24-22(28)21-15-25-19-3-1-2-4-20(19)26-21/h1-9,15H,10-14H2,(H,24,28)
InChIKeyWHRCPERZVQMREI-UHFFFAOYSA-N
XLogP3.80
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinoxaline-2-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-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinoxaline-2-carboxamide (CID 90655811) is N-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinoxaline-2-carboxamide is O=C(NCCN1CC=C(c2ccc(Cl)cc2)CC1)c1cnc2ccccc2n1.
What is the InChIKey of N-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinoxaline-2-carboxamide?
The InChIKey is WHRCPERZVQMREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O/c23-18-7-5-16(6-8-18)17-9-12-27(13-10-17)14-11-24-22(28)21-15-25-19-3-1-2-4-20(19)26-21/h1-9,15H,10-14H2,(H,24,28).
What are the key properties of N-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinoxaline-2-carboxamide?
N-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinoxaline-2-carboxamide has a molecular weight of 392.89 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 90655811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).