methyl 3-(3-chlorophenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylate

C20H16ClNO2 — CID 166154515

IUPACmethyl 3-(3-chlorophenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2c(c1-c1cccc(Cl)c1)CCc1ccccc1-2
InChIInChI=1S/C20H16ClNO2/c1-24-20(23)19-17(13-6-4-7-14(21)11-13)16-10-9-12-5-2-3-8-15(12)18(16)22-19/h2-8,11,22H,9-10H2,1H3
InChIKeyNKYXIVORSSPLSF-UHFFFAOYSA-N
MW337.81 g/mol
LogP4.89
Rot. Bonds2

About methyl 3-(3-chlorophenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylate

methyl 3-(3-chlorophenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylate (PubChem CID 166154515) has the molecular formula C20H16ClNO2 and a molecular weight of 337.81 g/mol. Its IUPAC name is methyl 3-(3-chlorophenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3-chlorophenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylate
PubChem CID166154515
Molecular FormulaC20H16ClNO2
Molecular Weight337.81 g/mol
Exact Mass337.09
IUPAC Namemethyl 3-(3-chlorophenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2c(c1-c1cccc(Cl)c1)CCc1ccccc1-2
InChIInChI=1S/C20H16ClNO2/c1-24-20(23)19-17(13-6-4-7-14(21)11-13)16-10-9-12-5-2-3-8-15(12)18(16)22-19/h2-8,11,22H,9-10H2,1H3
InChIKeyNKYXIVORSSPLSF-UHFFFAOYSA-N
XLogP4.89
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze methyl 3-(3-chlorophenyl)-4,5-dihydro-1H-benzo[g]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 5-chloroindole-2-carboxylate
CID 78518
ethyl 5-chloro-3-phenyl-1H-indole-2-carboxylate
CID 737953
ethyl 6-(2-chlorophenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
CID 3548217
ethyl 5-chloro-3-(1-phenylcyclopropyl)-1H-indole-2-carboxylate
CID 70682287
ethyl 5-chloro-3-[methoxy(phenyl)methyl]-1H-indole-2-carboxylate
CID 91666639
ethyl 5-chloro-3-[(3,5-dimethylphenyl)-methoxy-methyl]-1H-indole-2-carboxylate
CID 91667514
ethyl 6-(4-chlorophenyl)-4-oxo-3-phenyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
CID 6621626
cyclohexylmethyl 6-(2-chlorophenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
CID 15989849
cyclohexyl 6-(2-chlorophenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
CID 15989883
4-methylcyclohexyl 6-(2-chlorophenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
CID 15989937
ethyl 5-chloro-3-[ethoxy(phenyl)methyl]-1H-indole-2-carboxylate
CID 118711018
ethyl 5-chloro-3-[methoxy(m-tolyl)methyl]-1H-indole-2-carboxylate
CID 127034379

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-chlorophenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylate?
The IUPAC name of methyl 3-(3-chlorophenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylate (CID 166154515) is methyl 3-(3-chlorophenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylate.
What is the SMILES notation for methyl 3-(3-chlorophenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylate?
The canonical SMILES for methyl 3-(3-chlorophenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylate is COC(=O)c1[nH]c2c(c1-c1cccc(Cl)c1)CCc1ccccc1-2.
What is the InChIKey of methyl 3-(3-chlorophenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylate?
The InChIKey is NKYXIVORSSPLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO2/c1-24-20(23)19-17(13-6-4-7-14(21)11-13)16-10-9-12-5-2-3-8-15(12)18(16)22-19/h2-8,11,22H,9-10H2,1H3.
What are the key properties of methyl 3-(3-chlorophenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylate?
methyl 3-(3-chlorophenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylate has a molecular weight of 337.81 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-chlorophenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylate is sourced from PubChem (CID 166154515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).