methyl 1-methyl-5-phenylpyrido[4,3-b]indole-3-carboxylate

C20H16N2O2 — CID 162411116

IUPACmethyl 1-methyl-5-phenylpyrido[4,3-b]indole-3-carboxylate
SMILESCOC(=O)c1cc2c(c(C)n1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C20H16N2O2/c1-13-19-15-10-6-7-11-17(15)22(14-8-4-3-5-9-14)18(19)12-16(21-13)20(23)24-2/h3-12H,1-2H3
InChIKeyWDEIPYXZPQMIBR-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.27
Rot. Bonds2

About methyl 1-methyl-5-phenylpyrido[4,3-b]indole-3-carboxylate

methyl 1-methyl-5-phenylpyrido[4,3-b]indole-3-carboxylate (PubChem CID 162411116) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is methyl 1-methyl-5-phenylpyrido[4,3-b]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-5-phenylpyrido[4,3-b]indole-3-carboxylate
PubChem CID162411116
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Namemethyl 1-methyl-5-phenylpyrido[4,3-b]indole-3-carboxylate
SMILESCOC(=O)c1cc2c(c(C)n1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C20H16N2O2/c1-13-19-15-10-6-7-11-17(15)22(14-8-4-3-5-9-14)18(19)12-16(21-13)20(23)24-2/h3-12H,1-2H3
InChIKeyWDEIPYXZPQMIBR-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 9-phenylcarbazole-3-carboxylate
CID 164892004
6-methyl-11-phenylindolo[3,2-c]quinoline
CID 177491970
1-(4-methyl-9-phenylpyrido[2,3-b]indol-2-yl)ethanone
CID 135059905
methyl 4-chloro-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126743206
2-methyl-4,9-diphenylcarbazole
CID 134488069
methyl 4-[4-(4-methoxycarbonylphenyl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]benzoate
CID 144596067
methyl 4-[3-(N-[9-(4-methoxycarbonylphenyl)carbazol-3-yl]anilino)carbazol-9-yl]benzoate
CID 126595795
methyl 3-ethoxy-4-phenylfuro[3,2-b]indole-2-carboxylate
CID 13220390
methyl 4-[3-[bis[9-(4-methylphenyl)carbazol-3-yl]amino]carbazol-9-yl]benzoate
CID 126585601
methyl 4-methoxy-1-phenylindole-2-carboxylate
CID 10493073
methyl 4-[6-phenyl-2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]benzoate
CID 121276765
methyl 9-methyl-1-phenylpyrido[3,4-b]indole-3-carboxylate
CID 11267059

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-5-phenylpyrido[4,3-b]indole-3-carboxylate?
The IUPAC name of methyl 1-methyl-5-phenylpyrido[4,3-b]indole-3-carboxylate (CID 162411116) is methyl 1-methyl-5-phenylpyrido[4,3-b]indole-3-carboxylate.
What is the SMILES notation for methyl 1-methyl-5-phenylpyrido[4,3-b]indole-3-carboxylate?
The canonical SMILES for methyl 1-methyl-5-phenylpyrido[4,3-b]indole-3-carboxylate is COC(=O)c1cc2c(c(C)n1)c1ccccc1n2-c1ccccc1.
What is the InChIKey of methyl 1-methyl-5-phenylpyrido[4,3-b]indole-3-carboxylate?
The InChIKey is WDEIPYXZPQMIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-13-19-15-10-6-7-11-17(15)22(14-8-4-3-5-9-14)18(19)12-16(21-13)20(23)24-2/h3-12H,1-2H3.
What are the key properties of methyl 1-methyl-5-phenylpyrido[4,3-b]indole-3-carboxylate?
methyl 1-methyl-5-phenylpyrido[4,3-b]indole-3-carboxylate has a molecular weight of 316.36 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-5-phenylpyrido[4,3-b]indole-3-carboxylate is sourced from PubChem (CID 162411116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).