methyl 6-methylpyrido[3,4-b]indole-9-carboxylate

C14H12N2O2 — CID 161038199

IUPACmethyl 6-methylpyrido[3,4-b]indole-9-carboxylate
SMILESCOC(=O)n1c2ccc(C)cc2c2ccncc21
InChIInChI=1S/C14H12N2O2/c1-9-3-4-12-11(7-9)10-5-6-15-8-13(10)16(12)14(17)18-2/h3-8H,1-2H3
InChIKeyUANLSEUMSIMSIP-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.11
Rot. Bonds

About methyl 6-methylpyrido[3,4-b]indole-9-carboxylate

methyl 6-methylpyrido[3,4-b]indole-9-carboxylate (PubChem CID 161038199) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is methyl 6-methylpyrido[3,4-b]indole-9-carboxylate.

Molecular Properties

Compound Namemethyl 6-methylpyrido[3,4-b]indole-9-carboxylate
PubChem CID161038199
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Namemethyl 6-methylpyrido[3,4-b]indole-9-carboxylate
SMILESCOC(=O)n1c2ccc(C)cc2c2ccncc21
InChIInChI=1S/C14H12N2O2/c1-9-3-4-12-11(7-9)10-5-6-15-8-13(10)16(12)14(17)18-2/h3-8H,1-2H3
InChIKeyUANLSEUMSIMSIP-UHFFFAOYSA-N
XLogP3.11
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-methanidyl-6-methylpyrido[3,4-b]indole;yttrium
CID 59176535
phenyl pyrido[3,4-b]indole-9-carboxylate
CID 86206232
(6-methoxypyrido[3,4-b]indol-9-yl)-phenylmethanone
CID 134495390
methyl 3-acetyl-5-(methoxycarbonylamino)-2-methylindole-1-carboxylate
CID 15369953
6-methoxy-9-[(4-methylphenyl)methyl]pyrido[3,4-b]indole
CID 170621370
methyl N-(4-methyl-3-pyridinyl)carbamate
CID 11672725
tert-butyl 3-bromo-6-methylcarbazole-9-carboxylate
CID 21072274
2-(2,5-dimethylphenoxy)-N-isoquinolin-5-ylacetamide
CID 8763215
3-hydroxy-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 81442907
(4-methoxyphenyl)-(3-methylcarbazol-9-yl)methanone
CID 71534571
methyl 2-[(3-chloropyridine-4-carbonyl)amino]-5-methylbenzoate
CID 66484487
N-(2-methoxy-5-methylphenyl)isoquinoline-8-carboxamide
CID 110860308

Frequently Asked Questions

What is the IUPAC name of methyl 6-methylpyrido[3,4-b]indole-9-carboxylate?
The IUPAC name of methyl 6-methylpyrido[3,4-b]indole-9-carboxylate (CID 161038199) is methyl 6-methylpyrido[3,4-b]indole-9-carboxylate.
What is the SMILES notation for methyl 6-methylpyrido[3,4-b]indole-9-carboxylate?
The canonical SMILES for methyl 6-methylpyrido[3,4-b]indole-9-carboxylate is COC(=O)n1c2ccc(C)cc2c2ccncc21.
What is the InChIKey of methyl 6-methylpyrido[3,4-b]indole-9-carboxylate?
The InChIKey is UANLSEUMSIMSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-9-3-4-12-11(7-9)10-5-6-15-8-13(10)16(12)14(17)18-2/h3-8H,1-2H3.
What are the key properties of methyl 6-methylpyrido[3,4-b]indole-9-carboxylate?
methyl 6-methylpyrido[3,4-b]indole-9-carboxylate has a molecular weight of 240.26 g/mol, XLogP of 3.11, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methylpyrido[3,4-b]indole-9-carboxylate is sourced from PubChem (CID 161038199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).