ethyl 1-amino-2-(4-chlorobenzoyl)-5,7-dimethylthieno[2,3-b]indolizine-4-carboxylate

C22H19ClN2O3S — CID 10410242

IUPACethyl 1-amino-2-(4-chlorobenzoyl)-5,7-dimethylthieno[2,3-b]indolizine-4-carboxylate
SMILESCCOC(=O)c1c2sc(C(=O)c3ccc(Cl)cc3)c(N)c2n2cc(C)cc(C)c12
InChIInChI=1S/C22H19ClN2O3S/c1-4-28-22(27)15-17-12(3)9-11(2)10-25(17)18-16(24)21(29-20(15)18)19(26)13-5-7-14(23)8-6-13/h5-10H,4,24H2,1-3H3
InChIKeyBKUVFJYHHPJBQL-UHFFFAOYSA-N
MW426.93 g/mol
LogP5.41
Rot. Bonds4

About ethyl 1-amino-2-(4-chlorobenzoyl)-5,7-dimethylthieno[2,3-b]indolizine-4-carboxylate

ethyl 1-amino-2-(4-chlorobenzoyl)-5,7-dimethylthieno[2,3-b]indolizine-4-carboxylate (PubChem CID 10410242) has the molecular formula C22H19ClN2O3S and a molecular weight of 426.93 g/mol. Its IUPAC name is ethyl 1-amino-2-(4-chlorobenzoyl)-5,7-dimethylthieno[2,3-b]indolizine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-amino-2-(4-chlorobenzoyl)-5,7-dimethylthieno[2,3-b]indolizine-4-carboxylate
PubChem CID10410242
Molecular FormulaC22H19ClN2O3S
Molecular Weight426.93 g/mol
Exact Mass426.08
IUPAC Nameethyl 1-amino-2-(4-chlorobenzoyl)-5,7-dimethylthieno[2,3-b]indolizine-4-carboxylate
SMILESCCOC(=O)c1c2sc(C(=O)c3ccc(Cl)cc3)c(N)c2n2cc(C)cc(C)c12
InChIInChI=1S/C22H19ClN2O3S/c1-4-28-22(27)15-17-12(3)9-11(2)10-25(17)18-16(24)21(29-20(15)18)19(26)13-5-7-14(23)8-6-13/h5-10H,4,24H2,1-3H3
InChIKeyBKUVFJYHHPJBQL-UHFFFAOYSA-N
XLogP5.41
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.93
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 1-amino-2-(4-chlorobenzoyl)-5,7-dimethylthieno[2,3-b]indolizine-4-carboxylate with MolForge

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Related Compounds

ethyl 2-(4-bromobenzoyl)-1,5,7-trimethylthieno[2,3-b]indolizine-4-carboxylate
CID 14708980
ethyl 3-(4-chlorobenzoyl)-1-[[4-[[3-(4-chlorobenzoyl)-4-ethoxycarbonyl-5,7-dimethylthieno[3,4-b]indolizin-1-yl]sulfanylmethyl]phenyl]methylsulfanyl]-5,7-dimethylthieno[3,4-b]indolizine-4-carboxylate
CID 44606698
ethyl 3-(4-bromobenzoyl)-1-[[3-[[3-(4-bromobenzoyl)-4-ethoxycarbonyl-5,7-dimethylthieno[3,4-b]indolizin-1-yl]sulfanylmethyl]phenyl]methylsulfanyl]-5,7-dimethylthieno[3,4-b]indolizine-4-carboxylate
CID 44605667
potassium 3-(4-chlorobenzoyl)-4-ethoxycarbonyl-6-methylthieno[3,4-b]indolizine-1-thiolate
CID 23672190
ethyl 2-benzoyl-1-methoxy-6-methylthieno[2,3-b]indolizine-4-carboxylate
CID 14709016
ethyl 3-amino-2-(4-chlorobenzoyl)-4-[4-(dimethylamino)phenyl]-6-methylthieno[2,3-b]pyridine-5-carboxylate
CID 11443302
diethyl 2-benzylsulfanyl-6,8-dimethylindolizine-1,3-dicarboxylate
CID 101356316
sodium 4-amino-5-benzoyl-3-ethoxycarbonylthiophene-2-thiolate
CID 42624946
ethyl 2-[(4-chlorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 587143
ethyl 5-amino-2-(4-chlorophenyl)thieno[2,3-b]thiophene-4-carboxylate
CID 44514941
ethyl 2,4,6-trichlorobenzoate
CID 91733956
diethyl 2,5-dichlorothiophene-3,4-dicarboxylate
CID 102280314

Frequently Asked Questions

What is the IUPAC name of ethyl 1-amino-2-(4-chlorobenzoyl)-5,7-dimethylthieno[2,3-b]indolizine-4-carboxylate?
The IUPAC name of ethyl 1-amino-2-(4-chlorobenzoyl)-5,7-dimethylthieno[2,3-b]indolizine-4-carboxylate (CID 10410242) is ethyl 1-amino-2-(4-chlorobenzoyl)-5,7-dimethylthieno[2,3-b]indolizine-4-carboxylate.
What is the SMILES notation for ethyl 1-amino-2-(4-chlorobenzoyl)-5,7-dimethylthieno[2,3-b]indolizine-4-carboxylate?
The canonical SMILES for ethyl 1-amino-2-(4-chlorobenzoyl)-5,7-dimethylthieno[2,3-b]indolizine-4-carboxylate is CCOC(=O)c1c2sc(C(=O)c3ccc(Cl)cc3)c(N)c2n2cc(C)cc(C)c12.
What is the InChIKey of ethyl 1-amino-2-(4-chlorobenzoyl)-5,7-dimethylthieno[2,3-b]indolizine-4-carboxylate?
The InChIKey is BKUVFJYHHPJBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O3S/c1-4-28-22(27)15-17-12(3)9-11(2)10-25(17)18-16(24)21(29-20(15)18)19(26)13-5-7-14(23)8-6-13/h5-10H,4,24H2,1-3H3.
What are the key properties of ethyl 1-amino-2-(4-chlorobenzoyl)-5,7-dimethylthieno[2,3-b]indolizine-4-carboxylate?
ethyl 1-amino-2-(4-chlorobenzoyl)-5,7-dimethylthieno[2,3-b]indolizine-4-carboxylate has a molecular weight of 426.93 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-amino-2-(4-chlorobenzoyl)-5,7-dimethylthieno[2,3-b]indolizine-4-carboxylate is sourced from PubChem (CID 10410242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).