methyl 2-cyclopropyl-4-[3-[(4,5-dichloro-3-methyl-1H-indole-2-carbonyl)amino]oxolan-3-yl]benzoate

C25H24Cl2N2O4 — CID 130407779

IUPACmethyl 2-cyclopropyl-4-[3-[(4,5-dichloro-3-methyl-1H-indole-2-carbonyl)amino]oxolan-3-yl]benzoate
SMILESCOC(=O)c1ccc(C2(NC(=O)c3[nH]c4ccc(Cl)c(Cl)c4c3C)CCOC2)cc1C1CC1
InChIInChI=1S/C25H24Cl2N2O4/c1-13-20-19(8-7-18(26)21(20)27)28-22(13)23(30)29-25(9-10-33-12-25)15-5-6-16(24(31)32-2)17(11-15)14-3-4-14/h5-8,11,14,28H,3-4,9-10,12H2,1-2H3,(H,29,30)
InChIKeyLNNZEFHLHOHQLG-UHFFFAOYSA-N
MW487.38 g/mol
LogP5.49
Rot. Bonds5

About methyl 2-cyclopropyl-4-[3-[(4,5-dichloro-3-methyl-1H-indole-2-carbonyl)amino]oxolan-3-yl]benzoate

methyl 2-cyclopropyl-4-[3-[(4,5-dichloro-3-methyl-1H-indole-2-carbonyl)amino]oxolan-3-yl]benzoate (PubChem CID 130407779) has the molecular formula C25H24Cl2N2O4 and a molecular weight of 487.38 g/mol. Its IUPAC name is methyl 2-cyclopropyl-4-[3-[(4,5-dichloro-3-methyl-1H-indole-2-carbonyl)amino]oxolan-3-yl]benzoate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-4-[3-[(4,5-dichloro-3-methyl-1H-indole-2-carbonyl)amino]oxolan-3-yl]benzoate
PubChem CID130407779
Molecular FormulaC25H24Cl2N2O4
Molecular Weight487.38 g/mol
Exact Mass486.11
IUPAC Namemethyl 2-cyclopropyl-4-[3-[(4,5-dichloro-3-methyl-1H-indole-2-carbonyl)amino]oxolan-3-yl]benzoate
SMILESCOC(=O)c1ccc(C2(NC(=O)c3[nH]c4ccc(Cl)c(Cl)c4c3C)CCOC2)cc1C1CC1
InChIInChI=1S/C25H24Cl2N2O4/c1-13-20-19(8-7-18(26)21(20)27)28-22(13)23(30)29-25(9-10-33-12-25)15-5-6-16(24(31)32-2)17(11-15)14-3-4-14/h5-8,11,14,28H,3-4,9-10,12H2,1-2H3,(H,29,30)
InChIKeyLNNZEFHLHOHQLG-UHFFFAOYSA-N
XLogP5.49
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.38
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-cyclopropyl-4-[3-[(4,5-dichloro-3-methyl-1H-indole-2-carbonyl)amino]oxolan-3-yl]benzoate 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 2-cyclopropyl-4-[3-[(4,5-dichloro-3-methyl-1H-indole-2-carbonyl)amino]oxolan-3-yl]benzoate?
The IUPAC name of methyl 2-cyclopropyl-4-[3-[(4,5-dichloro-3-methyl-1H-indole-2-carbonyl)amino]oxolan-3-yl]benzoate (CID 130407779) is methyl 2-cyclopropyl-4-[3-[(4,5-dichloro-3-methyl-1H-indole-2-carbonyl)amino]oxolan-3-yl]benzoate.
What is the SMILES notation for methyl 2-cyclopropyl-4-[3-[(4,5-dichloro-3-methyl-1H-indole-2-carbonyl)amino]oxolan-3-yl]benzoate?
The canonical SMILES for methyl 2-cyclopropyl-4-[3-[(4,5-dichloro-3-methyl-1H-indole-2-carbonyl)amino]oxolan-3-yl]benzoate is COC(=O)c1ccc(C2(NC(=O)c3[nH]c4ccc(Cl)c(Cl)c4c3C)CCOC2)cc1C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-4-[3-[(4,5-dichloro-3-methyl-1H-indole-2-carbonyl)amino]oxolan-3-yl]benzoate?
The InChIKey is LNNZEFHLHOHQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N2O4/c1-13-20-19(8-7-18(26)21(20)27)28-22(13)23(30)29-25(9-10-33-12-25)15-5-6-16(24(31)32-2)17(11-15)14-3-4-14/h5-8,11,14,28H,3-4,9-10,12H2,1-2H3,(H,29,30).
What are the key properties of methyl 2-cyclopropyl-4-[3-[(4,5-dichloro-3-methyl-1H-indole-2-carbonyl)amino]oxolan-3-yl]benzoate?
methyl 2-cyclopropyl-4-[3-[(4,5-dichloro-3-methyl-1H-indole-2-carbonyl)amino]oxolan-3-yl]benzoate has a molecular weight of 487.38 g/mol, XLogP of 5.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-4-[3-[(4,5-dichloro-3-methyl-1H-indole-2-carbonyl)amino]oxolan-3-yl]benzoate is sourced from PubChem (CID 130407779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).