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

C32H31N5O2 — CID 143628638

IUPACN-[3-[2-[[3-(3-methoxy-5-methylanilino)quinoxalin-2-yl]amino]ethyl]phenyl]-2-phenylacetamide
SMILESCOc1cc(C)cc(Nc2nc3ccccc3nc2NCCc2cccc(NC(=O)Cc3ccccc3)c2)c1
InChIInChI=1S/C32H31N5O2/c1-22-17-26(21-27(18-22)39-2)35-32-31(36-28-13-6-7-14-29(28)37-32)33-16-15-24-11-8-12-25(19-24)34-30(38)20-23-9-4-3-5-10-23/h3-14,17-19,21H,15-16,20H2,1-2H3,(H,33,36)(H,34,38)(H,35,37)
InChIKeyXGKAJDLONDPUMS-UHFFFAOYSA-N
MW517.63 g/mol
LogP6.53
Rot. Bonds10

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

N-[3-[2-[[3-(3-methoxy-5-methylanilino)quinoxalin-2-yl]amino]ethyl]phenyl]-2-phenylacetamide (PubChem CID 143628638) has the molecular formula C32H31N5O2 and a molecular weight of 517.63 g/mol. Its IUPAC name is N-[3-[2-[[3-(3-methoxy-5-methylanilino)quinoxalin-2-yl]amino]ethyl]phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-[2-[[3-(3-methoxy-5-methylanilino)quinoxalin-2-yl]amino]ethyl]phenyl]-2-phenylacetamide
PubChem CID143628638
Molecular FormulaC32H31N5O2
Molecular Weight517.63 g/mol
Exact Mass517.25
IUPAC NameN-[3-[2-[[3-(3-methoxy-5-methylanilino)quinoxalin-2-yl]amino]ethyl]phenyl]-2-phenylacetamide
SMILESCOc1cc(C)cc(Nc2nc3ccccc3nc2NCCc2cccc(NC(=O)Cc3ccccc3)c2)c1
InChIInChI=1S/C32H31N5O2/c1-22-17-26(21-27(18-22)39-2)35-32-31(36-28-13-6-7-14-29(28)37-32)33-16-15-24-11-8-12-25(19-24)34-30(38)20-23-9-4-3-5-10-23/h3-14,17-19,21H,15-16,20H2,1-2H3,(H,33,36)(H,34,38)(H,35,37)
InChIKeyXGKAJDLONDPUMS-UHFFFAOYSA-N
XLogP6.53
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.63
LogP ≤ 56.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-N-[3-[2-[[3-(3-methoxy-5-methylanilino)quinoxalin-2-yl]amino]ethyl]phenyl]benzamide
CID 143628899
N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-3-(3-methoxyphenyl)propanamide
CID 57448579
2-bromo-N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 59249165
N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-pyridin-3-ylacetamide
CID 59249030
N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(3-methylphenoxy)acetamide
CID 59249214
N-[4-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]amino]phenyl]-2-(dimethylamino)acetamide
CID 143442920
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-3-phenylpropanamide
CID 17222836
2-(butylamino)-N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]amino]sulfanylphenyl]acetamide
CID 145495869
2-N,3-N-bis[2-(4-methoxyphenyl)ethyl]quinoxaline-2,3-diamine
CID 1023772
N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-[(4-methylphenyl)methoxyamino]acetamide
CID 59249129
N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]-2-(3-methylphenyl)acetamide
CID 112983600
N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]amino]sulfanylphenyl]-2-(2-methylphenoxy)acetamide
CID 143442969

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[[3-(3-methoxy-5-methylanilino)quinoxalin-2-yl]amino]ethyl]phenyl]-2-phenylacetamide?
The IUPAC name of N-[3-[2-[[3-(3-methoxy-5-methylanilino)quinoxalin-2-yl]amino]ethyl]phenyl]-2-phenylacetamide (CID 143628638) is N-[3-[2-[[3-(3-methoxy-5-methylanilino)quinoxalin-2-yl]amino]ethyl]phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[3-[2-[[3-(3-methoxy-5-methylanilino)quinoxalin-2-yl]amino]ethyl]phenyl]-2-phenylacetamide?
The canonical SMILES for N-[3-[2-[[3-(3-methoxy-5-methylanilino)quinoxalin-2-yl]amino]ethyl]phenyl]-2-phenylacetamide is COc1cc(C)cc(Nc2nc3ccccc3nc2NCCc2cccc(NC(=O)Cc3ccccc3)c2)c1.
What is the InChIKey of N-[3-[2-[[3-(3-methoxy-5-methylanilino)quinoxalin-2-yl]amino]ethyl]phenyl]-2-phenylacetamide?
The InChIKey is XGKAJDLONDPUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N5O2/c1-22-17-26(21-27(18-22)39-2)35-32-31(36-28-13-6-7-14-29(28)37-32)33-16-15-24-11-8-12-25(19-24)34-30(38)20-23-9-4-3-5-10-23/h3-14,17-19,21H,15-16,20H2,1-2H3,(H,33,36)(H,34,38)(H,35,37).
What are the key properties of N-[3-[2-[[3-(3-methoxy-5-methylanilino)quinoxalin-2-yl]amino]ethyl]phenyl]-2-phenylacetamide?
N-[3-[2-[[3-(3-methoxy-5-methylanilino)quinoxalin-2-yl]amino]ethyl]phenyl]-2-phenylacetamide has a molecular weight of 517.63 g/mol, XLogP of 6.53, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[[3-(3-methoxy-5-methylanilino)quinoxalin-2-yl]amino]ethyl]phenyl]-2-phenylacetamide is sourced from PubChem (CID 143628638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).