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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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).