ethyl 7-bromo-1-[(4-methoxyphenyl)methyl]indole-2-carboxylate

C19H18BrNO3 — CID 178180601

IUPACethyl 7-bromo-1-[(4-methoxyphenyl)methyl]indole-2-carboxylate
SMILESCCOC(=O)c1cc2cccc(Br)c2n1Cc1ccc(OC)cc1
InChIInChI=1S/C19H18BrNO3/c1-3-24-19(22)17-11-14-5-4-6-16(20)18(14)21(17)12-13-7-9-15(23-2)10-8-13/h4-11H,3,12H2,1-2H3
InChIKeyUGZAVMRHDCFVCD-UHFFFAOYSA-N
MW388.26 g/mol
LogP4.64
Rot. Bonds5

About ethyl 7-bromo-1-[(4-methoxyphenyl)methyl]indole-2-carboxylate

ethyl 7-bromo-1-[(4-methoxyphenyl)methyl]indole-2-carboxylate (PubChem CID 178180601) has the molecular formula C19H18BrNO3 and a molecular weight of 388.26 g/mol. Its IUPAC name is ethyl 7-bromo-1-[(4-methoxyphenyl)methyl]indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-bromo-1-[(4-methoxyphenyl)methyl]indole-2-carboxylate
PubChem CID178180601
Molecular FormulaC19H18BrNO3
Molecular Weight388.26 g/mol
Exact Mass387.05
IUPAC Nameethyl 7-bromo-1-[(4-methoxyphenyl)methyl]indole-2-carboxylate
SMILESCCOC(=O)c1cc2cccc(Br)c2n1Cc1ccc(OC)cc1
InChIInChI=1S/C19H18BrNO3/c1-3-24-19(22)17-11-14-5-4-6-16(20)18(14)21(17)12-13-7-9-15(23-2)10-8-13/h4-11H,3,12H2,1-2H3
InChIKeyUGZAVMRHDCFVCD-UHFFFAOYSA-N
XLogP4.64
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.26
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 7-bromo-1-[(4-methoxyphenyl)methyl]indole-2-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

ethyl 7-bromo-1-butylindole-2-carboxylate
CID 171662940
ethyl 1-[(4-methylphenyl)methyl]indole-2-carboxylate
CID 155536959
ethyl 1-[2-(3-methoxyphenyl)ethyl]indole-2-carboxylate
CID 68856722
ethyl 5-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate
CID 68699963
ethyl 4-bromo-1-[(3,4-dichlorophenyl)methyl]indole-2-carboxylate
CID 22311024
methyl 1-[2-amino-3-(4-methoxyphenyl)propoxy]-7-bromoindole-2-carboxylate
CID 141319959
ethyl 5-(2-bromoacetyl)-2-ethyl-1-[(4-methoxyphenyl)methyl]-6-oxopyridine-3-carboxylate
CID 87907995
ethyl 1-[(3,5-difluorophenyl)methyl]indole-2-carboxylate
CID 143638283
ethyl 5-acetyloxy-1-[(3-chlorophenyl)methyl]indole-2-carboxylate
CID 22718732
ethyl 1-[[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]methyl]indole-2-carboxylate
CID 18362058
ethyl 1-[[4-(3-ethoxy-3-oxoprop-1-enyl)phenyl]methyl]indole-2-carboxylate
CID 70241933
ethyl 5-methoxy-1-prop-2-enylindole-2-carboxylate
CID 71427681

Frequently Asked Questions

What is the IUPAC name of ethyl 7-bromo-1-[(4-methoxyphenyl)methyl]indole-2-carboxylate?
The IUPAC name of ethyl 7-bromo-1-[(4-methoxyphenyl)methyl]indole-2-carboxylate (CID 178180601) is ethyl 7-bromo-1-[(4-methoxyphenyl)methyl]indole-2-carboxylate.
What is the SMILES notation for ethyl 7-bromo-1-[(4-methoxyphenyl)methyl]indole-2-carboxylate?
The canonical SMILES for ethyl 7-bromo-1-[(4-methoxyphenyl)methyl]indole-2-carboxylate is CCOC(=O)c1cc2cccc(Br)c2n1Cc1ccc(OC)cc1.
What is the InChIKey of ethyl 7-bromo-1-[(4-methoxyphenyl)methyl]indole-2-carboxylate?
The InChIKey is UGZAVMRHDCFVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrNO3/c1-3-24-19(22)17-11-14-5-4-6-16(20)18(14)21(17)12-13-7-9-15(23-2)10-8-13/h4-11H,3,12H2,1-2H3.
What are the key properties of ethyl 7-bromo-1-[(4-methoxyphenyl)methyl]indole-2-carboxylate?
ethyl 7-bromo-1-[(4-methoxyphenyl)methyl]indole-2-carboxylate has a molecular weight of 388.26 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-bromo-1-[(4-methoxyphenyl)methyl]indole-2-carboxylate is sourced from PubChem (CID 178180601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).