2,3-bis(4-methoxyphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]quinoxaline-6-carboxamide

C32H36N4O3 — CID 20967727

IUPAC2,3-bis(4-methoxyphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]quinoxaline-6-carboxamide
SMILESCOc1ccc(-c2nc3ccc(C(=O)NCCCN4CCCC(C)C4)cc3nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C32H36N4O3/c1-22-6-4-18-36(21-22)19-5-17-33-32(37)25-11-16-28-29(20-25)35-31(24-9-14-27(39-3)15-10-24)30(34-28)23-7-12-26(38-2)13-8-23/h7-16,20,22H,4-6,17-19,21H2,1-3H3,(H,33,37)
InChIKeyNKQZUGWFRCYMJF-UHFFFAOYSA-N
MW524.67 g/mol
LogP5.83
Rot. Bonds9

About 2,3-bis(4-methoxyphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]quinoxaline-6-carboxamide

2,3-bis(4-methoxyphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]quinoxaline-6-carboxamide (PubChem CID 20967727) has the molecular formula C32H36N4O3 and a molecular weight of 524.67 g/mol. Its IUPAC name is 2,3-bis(4-methoxyphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound Name2,3-bis(4-methoxyphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]quinoxaline-6-carboxamide
PubChem CID20967727
Molecular FormulaC32H36N4O3
Molecular Weight524.67 g/mol
Exact Mass524.28
IUPAC Name2,3-bis(4-methoxyphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]quinoxaline-6-carboxamide
SMILESCOc1ccc(-c2nc3ccc(C(=O)NCCCN4CCCC(C)C4)cc3nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C32H36N4O3/c1-22-6-4-18-36(21-22)19-5-17-33-32(37)25-11-16-28-29(20-25)35-31(24-9-14-27(39-3)15-10-24)30(34-28)23-7-12-26(38-2)13-8-23/h7-16,20,22H,4-6,17-19,21H2,1-3H3,(H,33,37)
InChIKeyNKQZUGWFRCYMJF-UHFFFAOYSA-N
XLogP5.83
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.67
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide
CID 51115800
3,4-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 133264409
3,4-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119693
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[4-(3-methylpiperidin-1-yl)butyl]benzamide
CID 55725093
N-[4-(3-methylpiperidin-1-yl)butyl]-4-(2,2,2-trifluoroethoxy)benzamide
CID 55717539
9-chloro-N-[3-(3-methylpiperidin-1-yl)propyl]-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 20866087
N-cyclohexyl-2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxamide
CID 4162047
3-(dimethylsulfamoyl)-4-methoxy-N-[4-(3-methylpiperidin-1-yl)butyl]benzamide
CID 55717312
4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94022373
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94022375
3-(methanesulfonamido)-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 55717869
2-(4-methoxyanilino)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]pyridine-3-carboxamide
CID 92584070

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-methoxyphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]quinoxaline-6-carboxamide?
The IUPAC name of 2,3-bis(4-methoxyphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]quinoxaline-6-carboxamide (CID 20967727) is 2,3-bis(4-methoxyphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]quinoxaline-6-carboxamide.
What is the SMILES notation for 2,3-bis(4-methoxyphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]quinoxaline-6-carboxamide?
The canonical SMILES for 2,3-bis(4-methoxyphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]quinoxaline-6-carboxamide is COc1ccc(-c2nc3ccc(C(=O)NCCCN4CCCC(C)C4)cc3nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 2,3-bis(4-methoxyphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]quinoxaline-6-carboxamide?
The InChIKey is NKQZUGWFRCYMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N4O3/c1-22-6-4-18-36(21-22)19-5-17-33-32(37)25-11-16-28-29(20-25)35-31(24-9-14-27(39-3)15-10-24)30(34-28)23-7-12-26(38-2)13-8-23/h7-16,20,22H,4-6,17-19,21H2,1-3H3,(H,33,37).
What are the key properties of 2,3-bis(4-methoxyphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]quinoxaline-6-carboxamide?
2,3-bis(4-methoxyphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]quinoxaline-6-carboxamide has a molecular weight of 524.67 g/mol, XLogP of 5.83, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-methoxyphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 20967727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).