propan-2-yl (3S)-4-(cyclopropanecarbonyl)-3-methyl-7-[1-(2-methylsulfonylethyl)-2,3-dihydropyrrol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate

C24H33N3O5S — CID 163598920

IUPACpropan-2-yl (3S)-4-(cyclopropanecarbonyl)-3-methyl-7-[1-(2-methylsulfonylethyl)-2,3-dihydropyrrol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate
SMILESCC(C)OC(=O)N1C[C@H](C)N(C(=O)C2CC2)c2ccc(C3=CN(CCS(C)(=O)=O)CC3)cc21
InChIInChI=1S/C24H33N3O5S/c1-16(2)32-24(29)26-14-17(3)27(23(28)18-5-6-18)21-8-7-19(13-22(21)26)20-9-10-25(15-20)11-12-33(4,30)31/h7-8,13,15-18H,5-6,9-12,14H2,1-4H3/t17-/m0/s1
InChIKeyGVXIVHSCZPFZHE-KRWDZBQOSA-N
MW475.61 g/mol
LogP3.27
Rot. Bonds6

About propan-2-yl (3S)-4-(cyclopropanecarbonyl)-3-methyl-7-[1-(2-methylsulfonylethyl)-2,3-dihydropyrrol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate

propan-2-yl (3S)-4-(cyclopropanecarbonyl)-3-methyl-7-[1-(2-methylsulfonylethyl)-2,3-dihydropyrrol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate (PubChem CID 163598920) has the molecular formula C24H33N3O5S and a molecular weight of 475.61 g/mol. Its IUPAC name is propan-2-yl (3S)-4-(cyclopropanecarbonyl)-3-methyl-7-[1-(2-methylsulfonylethyl)-2,3-dihydropyrrol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl (3S)-4-(cyclopropanecarbonyl)-3-methyl-7-[1-(2-methylsulfonylethyl)-2,3-dihydropyrrol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate
PubChem CID163598920
Molecular FormulaC24H33N3O5S
Molecular Weight475.61 g/mol
Exact Mass475.21
IUPAC Namepropan-2-yl (3S)-4-(cyclopropanecarbonyl)-3-methyl-7-[1-(2-methylsulfonylethyl)-2,3-dihydropyrrol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate
SMILESCC(C)OC(=O)N1C[C@H](C)N(C(=O)C2CC2)c2ccc(C3=CN(CCS(C)(=O)=O)CC3)cc21
InChIInChI=1S/C24H33N3O5S/c1-16(2)32-24(29)26-14-17(3)27(23(28)18-5-6-18)21-8-7-19(13-22(21)26)20-9-10-25(15-20)11-12-33(4,30)31/h7-8,13,15-18H,5-6,9-12,14H2,1-4H3/t17-/m0/s1
InChIKeyGVXIVHSCZPFZHE-KRWDZBQOSA-N
XLogP3.27
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.61
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze propan-2-yl (3S)-4-(cyclopropanecarbonyl)-3-methyl-7-[1-(2-methylsulfonylethyl)-2,3-dihydropyrrol-4-yl]-2,3-dihydroquinoxaline-1-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

propan-2-yl (3S)-4-(cyclopropanecarbonyl)-7-[4-(3-hydroxyazetidine-1-carbonyl)phenyl]-3-methyl-2,3-dihydroquinoxaline-1-carboxylate
CID 118080715
propan-2-yl (3S)-4-(cyclopropanecarbonyl)-3-methyl-7-(1-methyltriazolidin-4-yl)-2,3-dihydroquinoxaline-1-carboxylate
CID 139393696
propan-2-yl (3S)-4-(cyclopropanecarbonyl)-3-methyl-7-[4-[methyl(2-oxobutyl)carbamoyl]phenyl]-2,3-dihydroquinoxaline-1-carboxylate
CID 160978888
propan-2-yl (3S)-4-(cyclopropanecarbonyl)-7-[1-(2-imidazol-1-ylethyl)pyrazol-4-yl]-3-methyl-2,3-dihydroquinoxaline-1-carboxylate
CID 118317877
propan-2-yl (3S)-4-acetyl-3-methyl-7-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2,3-dihydroquinoxaline-1-carboxylate
CID 118317776
propan-2-yl (3S)-4-(cyclopropanecarbonyl)-3-methyl-7-[1-[methyl(pentan-3-yl)amino]butan-2-yl]-2,3-dihydroquinoxaline-1-carboxylate
CID 146340985
propan-2-yl (3S)-4-(cyclopropanecarbonyl)-7-[1-(2-imidazol-1-ylethyl)-5-methylpyrrol-3-yl]-3-methyl-2,3-dihydroquinoxaline-1-carboxylate
CID 144846761
propan-2-yl 4-acetyl-7-[3-(methanesulfonamido)-4-methoxyphenyl]-3-methyl-2,3-dihydroquinoxaline-1-carboxylate
CID 123389159
[4-[1,4-bis(cyclopropanecarbonyl)-2-methyl-2,3-dihydroquinoxalin-6-yl]phenyl]methanesulfonamide
CID 123714394
propan-2-yl 4-acetyl-7-[3-fluoro-4-(methanesulfonamido)phenyl]-3-methyl-2,3-dihydroquinoxaline-1-carboxylate
CID 123203633
propan-2-yl (3S)-4-acetyl-7-[4-(2-aminoethylsulfonyl)phenyl]-3-methyl-2,3-dihydroquinoxaline-1-carboxylate
CID 118317800
propan-2-yl (3S)-4-acetyl-3-methyl-7-(3-sulfamoylphenyl)-2,3-dihydroquinoxaline-1-carboxylate
CID 118317955

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (3S)-4-(cyclopropanecarbonyl)-3-methyl-7-[1-(2-methylsulfonylethyl)-2,3-dihydropyrrol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate?
The IUPAC name of propan-2-yl (3S)-4-(cyclopropanecarbonyl)-3-methyl-7-[1-(2-methylsulfonylethyl)-2,3-dihydropyrrol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate (CID 163598920) is propan-2-yl (3S)-4-(cyclopropanecarbonyl)-3-methyl-7-[1-(2-methylsulfonylethyl)-2,3-dihydropyrrol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate.
What is the SMILES notation for propan-2-yl (3S)-4-(cyclopropanecarbonyl)-3-methyl-7-[1-(2-methylsulfonylethyl)-2,3-dihydropyrrol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate?
The canonical SMILES for propan-2-yl (3S)-4-(cyclopropanecarbonyl)-3-methyl-7-[1-(2-methylsulfonylethyl)-2,3-dihydropyrrol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate is CC(C)OC(=O)N1C[C@H](C)N(C(=O)C2CC2)c2ccc(C3=CN(CCS(C)(=O)=O)CC3)cc21.
What is the InChIKey of propan-2-yl (3S)-4-(cyclopropanecarbonyl)-3-methyl-7-[1-(2-methylsulfonylethyl)-2,3-dihydropyrrol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate?
The InChIKey is GVXIVHSCZPFZHE-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H33N3O5S/c1-16(2)32-24(29)26-14-17(3)27(23(28)18-5-6-18)21-8-7-19(13-22(21)26)20-9-10-25(15-20)11-12-33(4,30)31/h7-8,13,15-18H,5-6,9-12,14H2,1-4H3/t17-/m0/s1.
What are the key properties of propan-2-yl (3S)-4-(cyclopropanecarbonyl)-3-methyl-7-[1-(2-methylsulfonylethyl)-2,3-dihydropyrrol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate?
propan-2-yl (3S)-4-(cyclopropanecarbonyl)-3-methyl-7-[1-(2-methylsulfonylethyl)-2,3-dihydropyrrol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate has a molecular weight of 475.61 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (3S)-4-(cyclopropanecarbonyl)-3-methyl-7-[1-(2-methylsulfonylethyl)-2,3-dihydropyrrol-4-yl]-2,3-dihydroquinoxaline-1-carboxylate is sourced from PubChem (CID 163598920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).