methyl 2-[(1'R,3S)-5-chloro-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl]-3,5-dimethoxybenzoate

C20H18ClNO5 — CID 15956381

IUPACmethyl 2-[(1'R,3S)-5-chloro-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl]-3,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)cc(OC)c1[C@H]1C[C@]12C(=O)Nc1ccc(Cl)cc12
InChIInChI=1S/C20H18ClNO5/c1-25-11-7-12(18(23)27-3)17(16(8-11)26-2)14-9-20(14)13-6-10(21)4-5-15(13)22-19(20)24/h4-8,14H,9H2,1-3H3,(H,22,24)/t14-,20-/m1/s1
InChIKeyUVUGTENMUGEBSU-JLTOFOAXSA-N
MW387.82 g/mol
LogP3.52
Rot. Bonds4

About methyl 2-[(1'R,3S)-5-chloro-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl]-3,5-dimethoxybenzoate

methyl 2-[(1'R,3S)-5-chloro-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl]-3,5-dimethoxybenzoate (PubChem CID 15956381) has the molecular formula C20H18ClNO5 and a molecular weight of 387.82 g/mol. Its IUPAC name is methyl 2-[(1'R,3S)-5-chloro-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl]-3,5-dimethoxybenzoate.

Molecular Properties

Compound Namemethyl 2-[(1'R,3S)-5-chloro-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl]-3,5-dimethoxybenzoate
PubChem CID15956381
Molecular FormulaC20H18ClNO5
Molecular Weight387.82 g/mol
Exact Mass387.09
IUPAC Namemethyl 2-[(1'R,3S)-5-chloro-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl]-3,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)cc(OC)c1[C@H]1C[C@]12C(=O)Nc1ccc(Cl)cc12
InChIInChI=1S/C20H18ClNO5/c1-25-11-7-12(18(23)27-3)17(16(8-11)26-2)14-9-20(14)13-6-10(21)4-5-15(13)22-19(20)24/h4-8,14H,9H2,1-3H3,(H,22,24)/t14-,20-/m1/s1
InChIKeyUVUGTENMUGEBSU-JLTOFOAXSA-N
XLogP3.52
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(1'R,3S)-5-chloro-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl]-3,5-dimethoxybenzoate 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-[(1'R,3S)-5-chloro-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl]-3,5-dimethoxybenzoate?
The IUPAC name of methyl 2-[(1'R,3S)-5-chloro-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl]-3,5-dimethoxybenzoate (CID 15956381) is methyl 2-[(1'R,3S)-5-chloro-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl]-3,5-dimethoxybenzoate.
What is the SMILES notation for methyl 2-[(1'R,3S)-5-chloro-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl]-3,5-dimethoxybenzoate?
The canonical SMILES for methyl 2-[(1'R,3S)-5-chloro-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl]-3,5-dimethoxybenzoate is COC(=O)c1cc(OC)cc(OC)c1[C@H]1C[C@]12C(=O)Nc1ccc(Cl)cc12.
What is the InChIKey of methyl 2-[(1'R,3S)-5-chloro-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl]-3,5-dimethoxybenzoate?
The InChIKey is UVUGTENMUGEBSU-JLTOFOAXSA-N. The full InChI is InChI=1S/C20H18ClNO5/c1-25-11-7-12(18(23)27-3)17(16(8-11)26-2)14-9-20(14)13-6-10(21)4-5-15(13)22-19(20)24/h4-8,14H,9H2,1-3H3,(H,22,24)/t14-,20-/m1/s1.
What are the key properties of methyl 2-[(1'R,3S)-5-chloro-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl]-3,5-dimethoxybenzoate?
methyl 2-[(1'R,3S)-5-chloro-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl]-3,5-dimethoxybenzoate has a molecular weight of 387.82 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1'R,3S)-5-chloro-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl]-3,5-dimethoxybenzoate is sourced from PubChem (CID 15956381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).