methyl 5-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-oxo-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxaline-7-carboxylate

C24H22ClN3O4 — CID 3242376

IUPACmethyl 5-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-oxo-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxaline-7-carboxylate
SMILESCOC(=O)c1ccc2c(c1)N(Cc1nc(-c3ccc(Cl)cc3)oc1C)C(=O)C1CCCN21
InChIInChI=1S/C24H22ClN3O4/c1-14-18(26-22(32-14)15-5-8-17(25)9-6-15)13-28-21-12-16(24(30)31-2)7-10-19(21)27-11-3-4-20(27)23(28)29/h5-10,12,20H,3-4,11,13H2,1-2H3
InChIKeyDTVZOEZNWYVZPB-UHFFFAOYSA-N
MW451.91 g/mol
LogP4.61
Rot. Bonds4

About methyl 5-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-oxo-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxaline-7-carboxylate

methyl 5-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-oxo-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxaline-7-carboxylate (PubChem CID 3242376) has the molecular formula C24H22ClN3O4 and a molecular weight of 451.91 g/mol. Its IUPAC name is methyl 5-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-oxo-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxaline-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-oxo-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxaline-7-carboxylate
PubChem CID3242376
Molecular FormulaC24H22ClN3O4
Molecular Weight451.91 g/mol
Exact Mass451.13
IUPAC Namemethyl 5-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-oxo-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxaline-7-carboxylate
SMILESCOC(=O)c1ccc2c(c1)N(Cc1nc(-c3ccc(Cl)cc3)oc1C)C(=O)C1CCCN21
InChIInChI=1S/C24H22ClN3O4/c1-14-18(26-22(32-14)15-5-8-17(25)9-6-15)13-28-21-12-16(24(30)31-2)7-10-19(21)27-11-3-4-20(27)23(28)29/h5-10,12,20H,3-4,11,13H2,1-2H3
InChIKeyDTVZOEZNWYVZPB-UHFFFAOYSA-N
XLogP4.61
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.91
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 5-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-oxo-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxaline-7-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-oxo-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxaline-7-carboxylate?
The IUPAC name of methyl 5-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-oxo-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxaline-7-carboxylate (CID 3242376) is methyl 5-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-oxo-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxaline-7-carboxylate.
What is the SMILES notation for methyl 5-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-oxo-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxaline-7-carboxylate?
The canonical SMILES for methyl 5-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-oxo-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxaline-7-carboxylate is COC(=O)c1ccc2c(c1)N(Cc1nc(-c3ccc(Cl)cc3)oc1C)C(=O)C1CCCN21.
What is the InChIKey of methyl 5-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-oxo-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxaline-7-carboxylate?
The InChIKey is DTVZOEZNWYVZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O4/c1-14-18(26-22(32-14)15-5-8-17(25)9-6-15)13-28-21-12-16(24(30)31-2)7-10-19(21)27-11-3-4-20(27)23(28)29/h5-10,12,20H,3-4,11,13H2,1-2H3.
What are the key properties of methyl 5-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-oxo-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxaline-7-carboxylate?
methyl 5-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-oxo-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxaline-7-carboxylate has a molecular weight of 451.91 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-oxo-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxaline-7-carboxylate is sourced from PubChem (CID 3242376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).