ethyl 2-(4-chlorophenyl)-1-methylpyrrolo[3,2-b]quinoxaline-3-carboxylate

C20H16ClN3O2 — CID 102130030

IUPACethyl 2-(4-chlorophenyl)-1-methylpyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(Cl)cc2)n(C)c2nc3ccccc3nc12
InChIInChI=1S/C20H16ClN3O2/c1-3-26-20(25)16-17-19(23-15-7-5-4-6-14(15)22-17)24(2)18(16)12-8-10-13(21)11-9-12/h4-11H,3H2,1-2H3
InChIKeyCIIGXUNAKIAVAM-UHFFFAOYSA-N
MW365.82 g/mol
LogP4.62
Rot. Bonds3

About ethyl 2-(4-chlorophenyl)-1-methylpyrrolo[3,2-b]quinoxaline-3-carboxylate

ethyl 2-(4-chlorophenyl)-1-methylpyrrolo[3,2-b]quinoxaline-3-carboxylate (PubChem CID 102130030) has the molecular formula C20H16ClN3O2 and a molecular weight of 365.82 g/mol. Its IUPAC name is ethyl 2-(4-chlorophenyl)-1-methylpyrrolo[3,2-b]quinoxaline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-chlorophenyl)-1-methylpyrrolo[3,2-b]quinoxaline-3-carboxylate
PubChem CID102130030
Molecular FormulaC20H16ClN3O2
Molecular Weight365.82 g/mol
Exact Mass365.09
IUPAC Nameethyl 2-(4-chlorophenyl)-1-methylpyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(Cl)cc2)n(C)c2nc3ccccc3nc12
InChIInChI=1S/C20H16ClN3O2/c1-3-26-20(25)16-17-19(23-15-7-5-4-6-14(15)22-17)24(2)18(16)12-8-10-13(21)11-9-12/h4-11H,3H2,1-2H3
InChIKeyCIIGXUNAKIAVAM-UHFFFAOYSA-N
XLogP4.62
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(4-chlorobenzoyl)amino]-1-pentylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 4829790
ethyl 2,6-bis(4-chlorophenyl)-1-methyl-4-oxopyridine-3-carboxylate
CID 22159888
3-(2-amino-3-ethoxycarbonylpyrrolo[3,2-b]quinoxalin-1-yl)propylazanium
CID 7062690
ethyl 1-(2-aminoethyl)-5-(4-chlorophenyl)triazole-4-carboxylate
CID 103105629
ethyl 2-amino-1-(2-ethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 987507
ethyl 2-amino-1-(3,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 987442
ethyl 2-amino-1-[(2R)-1-hydroxypropan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 2429301
ethyl 4-(3-bromophenyl)-5-(4-chlorophenyl)-1,2-dimethylpyrrole-3-carboxylate
CID 71606585
ethyl 1-benzyl-2-[(2,4-dichlorobenzoyl)amino]pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 2327443
ethyl 3-(4-chlorophenyl)-5-[(3-methylquinoxalin-2-yl)amino]-1,2-oxazole-4-carboxylate
CID 108777358
diethyl 2-(4-chlorophenyl)-4,6-dimethylpyridine-3,5-dicarboxylate
CID 122366670
ethyl 2-(4-chlorophenyl)-3-methylimidazole-4-carboxylate
CID 122476726

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chlorophenyl)-1-methylpyrrolo[3,2-b]quinoxaline-3-carboxylate?
The IUPAC name of ethyl 2-(4-chlorophenyl)-1-methylpyrrolo[3,2-b]quinoxaline-3-carboxylate (CID 102130030) is ethyl 2-(4-chlorophenyl)-1-methylpyrrolo[3,2-b]quinoxaline-3-carboxylate.
What is the SMILES notation for ethyl 2-(4-chlorophenyl)-1-methylpyrrolo[3,2-b]quinoxaline-3-carboxylate?
The canonical SMILES for ethyl 2-(4-chlorophenyl)-1-methylpyrrolo[3,2-b]quinoxaline-3-carboxylate is CCOC(=O)c1c(-c2ccc(Cl)cc2)n(C)c2nc3ccccc3nc12.
What is the InChIKey of ethyl 2-(4-chlorophenyl)-1-methylpyrrolo[3,2-b]quinoxaline-3-carboxylate?
The InChIKey is CIIGXUNAKIAVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O2/c1-3-26-20(25)16-17-19(23-15-7-5-4-6-14(15)22-17)24(2)18(16)12-8-10-13(21)11-9-12/h4-11H,3H2,1-2H3.
What are the key properties of ethyl 2-(4-chlorophenyl)-1-methylpyrrolo[3,2-b]quinoxaline-3-carboxylate?
ethyl 2-(4-chlorophenyl)-1-methylpyrrolo[3,2-b]quinoxaline-3-carboxylate has a molecular weight of 365.82 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chlorophenyl)-1-methylpyrrolo[3,2-b]quinoxaline-3-carboxylate is sourced from PubChem (CID 102130030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).