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

C24H22ClN3O4 — CID 3241791

IUPACmethyl 5-[[2-(3-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(-c3cccc(Cl)c3)oc1C)C(=O)C1CCCN21
InChIInChI=1S/C24H22ClN3O4/c1-14-18(26-22(32-14)15-5-3-6-17(25)11-15)13-28-21-12-16(24(30)31-2)8-9-19(21)27-10-4-7-20(27)23(28)29/h3,5-6,8-9,11-12,20H,4,7,10,13H2,1-2H3
InChIKeyPHVNNHBJHLPOII-UHFFFAOYSA-N
MW451.91 g/mol
LogP4.61
Rot. Bonds4

About methyl 5-[[2-(3-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-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-oxo-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxaline-7-carboxylate (PubChem CID 3241791) has the molecular formula C24H22ClN3O4 and a molecular weight of 451.91 g/mol. Its IUPAC name is methyl 5-[[2-(3-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-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-oxo-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxaline-7-carboxylate
PubChem CID3241791
Molecular FormulaC24H22ClN3O4
Molecular Weight451.91 g/mol
Exact Mass451.13
IUPAC Namemethyl 5-[[2-(3-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(-c3cccc(Cl)c3)oc1C)C(=O)C1CCCN21
InChIInChI=1S/C24H22ClN3O4/c1-14-18(26-22(32-14)15-5-3-6-17(25)11-15)13-28-21-12-16(24(30)31-2)8-9-19(21)27-10-4-7-20(27)23(28)29/h3,5-6,8-9,11-12,20H,4,7,10,13H2,1-2H3
InChIKeyPHVNNHBJHLPOII-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-(3-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

Related Compounds

CID 5309602
CID 5309602
CID 66765618
CID 66765618
CID 86766073
CID 86766073
CID 3242376
CID 3242376
CID 3240893
CID 3240893
CID 4195083
CID 4195083
CID 26818133
CID 26818133
CID 44117745
CID 44117745
CID 89578122
CID 89578122
CID 6620139
CID 6620139
CID 156494173
CID 156494173
CID 42122968
CID 42122968

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-(3-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-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-oxo-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxaline-7-carboxylate (CID 3241791) is methyl 5-[[2-(3-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-(3-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-(3-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(-c3cccc(Cl)c3)oc1C)C(=O)C1CCCN21.
What is the InChIKey of methyl 5-[[2-(3-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 PHVNNHBJHLPOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O4/c1-14-18(26-22(32-14)15-5-3-6-17(25)11-15)13-28-21-12-16(24(30)31-2)8-9-19(21)27-10-4-7-20(27)23(28)29/h3,5-6,8-9,11-12,20H,4,7,10,13H2,1-2H3.
What are the key properties of methyl 5-[[2-(3-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-(3-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-(3-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 3241791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).