2,3-bis(3-methylphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]quinoxaline-6-carboxamide

C31H34N4O — CID 22588120

IUPAC2,3-bis(3-methylphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]quinoxaline-6-carboxamide
SMILESCc1cccc(-c2nc3ccc(C(=O)NCCN4CCCCC4C)cc3nc2-c2cccc(C)c2)c1
InChIInChI=1S/C31H34N4O/c1-21-8-6-11-24(18-21)29-30(25-12-7-9-22(2)19-25)34-28-20-26(13-14-27(28)33-29)31(36)32-15-17-35-16-5-4-10-23(35)3/h6-9,11-14,18-20,23H,4-5,10,15-17H2,1-3H3,(H,32,36)
InChIKeyHEOBCBFCAREUQT-UHFFFAOYSA-N
MW478.64 g/mol
LogP6.18
Rot. Bonds6

About 2,3-bis(3-methylphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]quinoxaline-6-carboxamide

2,3-bis(3-methylphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]quinoxaline-6-carboxamide (PubChem CID 22588120) has the molecular formula C31H34N4O and a molecular weight of 478.64 g/mol. Its IUPAC name is 2,3-bis(3-methylphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound Name2,3-bis(3-methylphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]quinoxaline-6-carboxamide
PubChem CID22588120
Molecular FormulaC31H34N4O
Molecular Weight478.64 g/mol
Exact Mass478.27
IUPAC Name2,3-bis(3-methylphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]quinoxaline-6-carboxamide
SMILESCc1cccc(-c2nc3ccc(C(=O)NCCN4CCCCC4C)cc3nc2-c2cccc(C)c2)c1
InChIInChI=1S/C31H34N4O/c1-21-8-6-11-24(18-21)29-30(25-12-7-9-22(2)19-25)34-28-20-26(13-14-27(28)33-29)31(36)32-15-17-35-16-5-4-10-23(35)3/h6-9,11-14,18-20,23H,4-5,10,15-17H2,1-3H3,(H,32,36)
InChIKeyHEOBCBFCAREUQT-UHFFFAOYSA-N
XLogP6.18
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.64
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,3-bis(3-methylphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]quinoxaline-6-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

3-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]benzamide
CID 119850953
N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 175740538
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
N-[4-(2-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide
CID 51115795
3-(3-hydroxy-3-methylbutyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]benzamide
CID 95896352
6-fluoro-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]quinoline-3-carboxamide
CID 164633773
methyl 3-[4-(2-methylpiperidin-1-yl)butylcarbamoyl]benzoate
CID 60516453
N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 95096718
1-(3-methylphenyl)-3-(2-methylpiperidin-1-yl)propan-1-one
CID 62629678
3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9473209
N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 92892597
N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide
CID 95074891

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(3-methylphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]quinoxaline-6-carboxamide?
The IUPAC name of 2,3-bis(3-methylphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]quinoxaline-6-carboxamide (CID 22588120) is 2,3-bis(3-methylphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]quinoxaline-6-carboxamide.
What is the SMILES notation for 2,3-bis(3-methylphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]quinoxaline-6-carboxamide?
The canonical SMILES for 2,3-bis(3-methylphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]quinoxaline-6-carboxamide is Cc1cccc(-c2nc3ccc(C(=O)NCCN4CCCCC4C)cc3nc2-c2cccc(C)c2)c1.
What is the InChIKey of 2,3-bis(3-methylphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]quinoxaline-6-carboxamide?
The InChIKey is HEOBCBFCAREUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N4O/c1-21-8-6-11-24(18-21)29-30(25-12-7-9-22(2)19-25)34-28-20-26(13-14-27(28)33-29)31(36)32-15-17-35-16-5-4-10-23(35)3/h6-9,11-14,18-20,23H,4-5,10,15-17H2,1-3H3,(H,32,36).
What are the key properties of 2,3-bis(3-methylphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]quinoxaline-6-carboxamide?
2,3-bis(3-methylphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]quinoxaline-6-carboxamide has a molecular weight of 478.64 g/mol, XLogP of 6.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(3-methylphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 22588120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).