2-ethyl-N-[3-[2-[[3-(3-methoxy-5-methylanilino)quinoxalin-2-yl]amino]ethyl]phenyl]benzamide

C33H33N5O2 — CID 143628899

IUPAC2-ethyl-N-[3-[2-[[3-(3-methoxy-5-methylanilino)quinoxalin-2-yl]amino]ethyl]phenyl]benzamide
SMILESCCc1ccccc1C(=O)Nc1cccc(CCNc2nc3ccccc3nc2Nc2cc(C)cc(OC)c2)c1
InChIInChI=1S/C33H33N5O2/c1-4-24-11-5-6-13-28(24)33(39)36-25-12-9-10-23(20-25)16-17-34-31-32(38-30-15-8-7-14-29(30)37-31)35-26-18-22(2)19-27(21-26)40-3/h5-15,18-21H,4,16-17H2,1-3H3,(H,34,37)(H,35,38)(H,36,39)
InChIKeyMTRLJTQHMHQNCB-UHFFFAOYSA-N
MW531.66 g/mol
LogP7.16
Rot. Bonds10

About 2-ethyl-N-[3-[2-[[3-(3-methoxy-5-methylanilino)quinoxalin-2-yl]amino]ethyl]phenyl]benzamide

2-ethyl-N-[3-[2-[[3-(3-methoxy-5-methylanilino)quinoxalin-2-yl]amino]ethyl]phenyl]benzamide (PubChem CID 143628899) has the molecular formula C33H33N5O2 and a molecular weight of 531.66 g/mol. Its IUPAC name is 2-ethyl-N-[3-[2-[[3-(3-methoxy-5-methylanilino)quinoxalin-2-yl]amino]ethyl]phenyl]benzamide.

Molecular Properties

Compound Name2-ethyl-N-[3-[2-[[3-(3-methoxy-5-methylanilino)quinoxalin-2-yl]amino]ethyl]phenyl]benzamide
PubChem CID143628899
Molecular FormulaC33H33N5O2
Molecular Weight531.66 g/mol
Exact Mass531.26
IUPAC Name2-ethyl-N-[3-[2-[[3-(3-methoxy-5-methylanilino)quinoxalin-2-yl]amino]ethyl]phenyl]benzamide
SMILESCCc1ccccc1C(=O)Nc1cccc(CCNc2nc3ccccc3nc2Nc2cc(C)cc(OC)c2)c1
InChIInChI=1S/C33H33N5O2/c1-4-24-11-5-6-13-28(24)33(39)36-25-12-9-10-23(20-25)16-17-34-31-32(38-30-15-8-7-14-29(30)37-31)35-26-18-22(2)19-27(21-26)40-3/h5-15,18-21H,4,16-17H2,1-3H3,(H,34,37)(H,35,38)(H,36,39)
InChIKeyMTRLJTQHMHQNCB-UHFFFAOYSA-N
XLogP7.16
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.66
LogP ≤ 57.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[2-[[3-(3-methoxy-5-methylanilino)quinoxalin-2-yl]amino]ethyl]phenyl]-2-phenylacetamide
CID 143628638
2-benzyl-N-(3-methoxyphenyl)benzamide
CID 26914636
5-[2-(3-methoxyphenyl)ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109192679
N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-3-(3-methoxyphenyl)propanamide
CID 57448579
2-N,3-N-bis[2-(4-methoxyphenyl)ethyl]quinoxaline-2,3-diamine
CID 1023772
2-(3,5-dimethoxyanilino)-3-[3-[(2-methylbenzoyl)amino]-N-sulfinatoanilino]quinoxaline
CID 175266289
2-bromo-N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 59249165
methyl 3-[(2-ethylbenzoyl)amino]benzoate
CID 81497347
N-(3-methoxyphenyl)-2-(propylamino)pyridine-3-carboxamide
CID 62166611
2-(butylamino)-N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]amino]sulfanylphenyl]acetamide
CID 145495869
N-(3-methoxyphenyl)-2-[3-(3-methylphenyl)propanoylamino]benzamide
CID 55456678
N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-3-methoxybenzamide
CID 57448571

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[3-[2-[[3-(3-methoxy-5-methylanilino)quinoxalin-2-yl]amino]ethyl]phenyl]benzamide?
The IUPAC name of 2-ethyl-N-[3-[2-[[3-(3-methoxy-5-methylanilino)quinoxalin-2-yl]amino]ethyl]phenyl]benzamide (CID 143628899) is 2-ethyl-N-[3-[2-[[3-(3-methoxy-5-methylanilino)quinoxalin-2-yl]amino]ethyl]phenyl]benzamide.
What is the SMILES notation for 2-ethyl-N-[3-[2-[[3-(3-methoxy-5-methylanilino)quinoxalin-2-yl]amino]ethyl]phenyl]benzamide?
The canonical SMILES for 2-ethyl-N-[3-[2-[[3-(3-methoxy-5-methylanilino)quinoxalin-2-yl]amino]ethyl]phenyl]benzamide is CCc1ccccc1C(=O)Nc1cccc(CCNc2nc3ccccc3nc2Nc2cc(C)cc(OC)c2)c1.
What is the InChIKey of 2-ethyl-N-[3-[2-[[3-(3-methoxy-5-methylanilino)quinoxalin-2-yl]amino]ethyl]phenyl]benzamide?
The InChIKey is MTRLJTQHMHQNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N5O2/c1-4-24-11-5-6-13-28(24)33(39)36-25-12-9-10-23(20-25)16-17-34-31-32(38-30-15-8-7-14-29(30)37-31)35-26-18-22(2)19-27(21-26)40-3/h5-15,18-21H,4,16-17H2,1-3H3,(H,34,37)(H,35,38)(H,36,39).
What are the key properties of 2-ethyl-N-[3-[2-[[3-(3-methoxy-5-methylanilino)quinoxalin-2-yl]amino]ethyl]phenyl]benzamide?
2-ethyl-N-[3-[2-[[3-(3-methoxy-5-methylanilino)quinoxalin-2-yl]amino]ethyl]phenyl]benzamide has a molecular weight of 531.66 g/mol, XLogP of 7.16, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[3-[2-[[3-(3-methoxy-5-methylanilino)quinoxalin-2-yl]amino]ethyl]phenyl]benzamide is sourced from PubChem (CID 143628899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).