methyl 9-methyl-1-phenylpyrido[3,4-b]indole-3-carboxylate

C20H16N2O2 — CID 11267059

IUPACmethyl 9-methyl-1-phenylpyrido[3,4-b]indole-3-carboxylate
SMILESCOC(=O)c1cc2c3ccccc3n(C)c2c(-c2ccccc2)n1
InChIInChI=1S/C20H16N2O2/c1-22-17-11-7-6-10-14(17)15-12-16(20(23)24-2)21-18(19(15)22)13-8-4-3-5-9-13/h3-12H,1-2H3
InChIKeyVFEZDYRDXSIYBS-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.18
Rot. Bonds2

About methyl 9-methyl-1-phenylpyrido[3,4-b]indole-3-carboxylate

methyl 9-methyl-1-phenylpyrido[3,4-b]indole-3-carboxylate (PubChem CID 11267059) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is methyl 9-methyl-1-phenylpyrido[3,4-b]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 9-methyl-1-phenylpyrido[3,4-b]indole-3-carboxylate
PubChem CID11267059
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Namemethyl 9-methyl-1-phenylpyrido[3,4-b]indole-3-carboxylate
SMILESCOC(=O)c1cc2c3ccccc3n(C)c2c(-c2ccccc2)n1
InChIInChI=1S/C20H16N2O2/c1-22-17-11-7-6-10-14(17)15-12-16(20(23)24-2)21-18(19(15)22)13-8-4-3-5-9-13/h3-12H,1-2H3
InChIKeyVFEZDYRDXSIYBS-UHFFFAOYSA-N
XLogP4.18
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-formyl-9-methylpyrido[3,4-b]indole-3-carboxylate
CID 11737244
ethyl 9-methyl-1-(3,4,5-trimethoxyphenyl)pyrido[3,4-b]indole-3-carboxylate
CID 25266085
[4-(3-methoxyphenyl)piperazin-1-yl]-(9-methyl-1-phenylpyrido[3,4-b]indol-3-yl)methanone
CID 118727430
butyl 1-(3,4-dimethoxyphenyl)-9-methylpyrido[3,4-b]indole-3-carboxylate
CID 141484492
ethyl 1-methoxy-9-methylpyrido[3,4-b]indole-3-carboxylate
CID 13147294
methyl 19-oxo-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaene-10-carboxylate
CID 8016689
methyl 3-methyl-1,3,6-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10,12,14-hexaene-7-carboxylate
CID 14669046
methyl 1-hydroxy-9-methylcarbazole-3-carboxylate
CID 21192144
methyl 1-[5-(acetyloxymethylidene)-2H-furan-2-yl]-9-methylpyrido[3,4-b]indole-3-carboxylate
CID 141129138
4-methoxy-5-methylpyrido[3,2-b]indole-2-carboxylic acid
CID 10563006
sodium 1,9-dimethylpyrido[3,4-b]indole-3-carboxylate
CID 23663807
methyl 1-(4-chlorophenyl)isoquinoline-3-carboxylate
CID 131843858

Frequently Asked Questions

What is the IUPAC name of methyl 9-methyl-1-phenylpyrido[3,4-b]indole-3-carboxylate?
The IUPAC name of methyl 9-methyl-1-phenylpyrido[3,4-b]indole-3-carboxylate (CID 11267059) is methyl 9-methyl-1-phenylpyrido[3,4-b]indole-3-carboxylate.
What is the SMILES notation for methyl 9-methyl-1-phenylpyrido[3,4-b]indole-3-carboxylate?
The canonical SMILES for methyl 9-methyl-1-phenylpyrido[3,4-b]indole-3-carboxylate is COC(=O)c1cc2c3ccccc3n(C)c2c(-c2ccccc2)n1.
What is the InChIKey of methyl 9-methyl-1-phenylpyrido[3,4-b]indole-3-carboxylate?
The InChIKey is VFEZDYRDXSIYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-22-17-11-7-6-10-14(17)15-12-16(20(23)24-2)21-18(19(15)22)13-8-4-3-5-9-13/h3-12H,1-2H3.
What are the key properties of methyl 9-methyl-1-phenylpyrido[3,4-b]indole-3-carboxylate?
methyl 9-methyl-1-phenylpyrido[3,4-b]indole-3-carboxylate has a molecular weight of 316.36 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-methyl-1-phenylpyrido[3,4-b]indole-3-carboxylate is sourced from PubChem (CID 11267059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).