methyl 2-phenyl-9-phenylmethoxy-5H-pyrido[3,2-b]indole-4-carboxylate

C26H20N2O3 — CID 66604014

IUPACmethyl 2-phenyl-9-phenylmethoxy-5H-pyrido[3,2-b]indole-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)nc2c1[nH]c1cccc(OCc3ccccc3)c12
InChIInChI=1S/C26H20N2O3/c1-30-26(29)19-15-21(18-11-6-3-7-12-18)28-25-23-20(27-24(19)25)13-8-14-22(23)31-16-17-9-4-2-5-10-17/h2-15,27H,16H2,1H3
InChIKeyLOCBGJIZVNCPLV-UHFFFAOYSA-N
MW408.46 g/mol
LogP5.75
Rot. Bonds5

About methyl 2-phenyl-9-phenylmethoxy-5H-pyrido[3,2-b]indole-4-carboxylate

methyl 2-phenyl-9-phenylmethoxy-5H-pyrido[3,2-b]indole-4-carboxylate (PubChem CID 66604014) has the molecular formula C26H20N2O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is methyl 2-phenyl-9-phenylmethoxy-5H-pyrido[3,2-b]indole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-phenyl-9-phenylmethoxy-5H-pyrido[3,2-b]indole-4-carboxylate
PubChem CID66604014
Molecular FormulaC26H20N2O3
Molecular Weight408.46 g/mol
Exact Mass408.15
IUPAC Namemethyl 2-phenyl-9-phenylmethoxy-5H-pyrido[3,2-b]indole-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)nc2c1[nH]c1cccc(OCc3ccccc3)c12
InChIInChI=1S/C26H20N2O3/c1-30-26(29)19-15-21(18-11-6-3-7-12-18)28-25-23-20(27-24(19)25)13-8-14-22(23)31-16-17-9-4-2-5-10-17/h2-15,27H,16H2,1H3
InChIKeyLOCBGJIZVNCPLV-UHFFFAOYSA-N
XLogP5.75
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.46
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(4-methoxyphenyl)-7-phenylmethoxy-5H-pyrido[3,2-b]indole-4-carboxylate
CID 66605654
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CID 172528451
methyl 2-bromo-4-methyl-5-phenylmethoxybenzoate
CID 170744490
1-(3-hydroxy-4-phenylmethoxy-1H-indol-2-yl)ethanone
CID 67641963
methyl 8-ethyl-2-(3-methyl-1-benzofuran-2-yl)-5-phenylmethoxyquinoline-4-carboxylate
CID 126751106
methyl 1-phenyl-4-phenylmethoxynaphthalene-2-carboxylate
CID 147669047
methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate
CID 14323673
methyl 6-methyl-5-phenylmethoxy-1H-indole-2-carboxylate
CID 58437486
(3-methyl-4-phenylmethoxy-1H-indol-2-yl)methanol
CID 154159403
methyl 7-bromo-3-phenylmethoxynaphthalene-2-carboxylate
CID 166501120
methyl 2-phenylmethoxy-5-(2H-triazol-4-yl)pyridine-3-carboxylate
CID 118167810
methyl 3-ethyl-6-phenylmethoxy-1H-indazole-5-carboxylate
CID 140667084

Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyl-9-phenylmethoxy-5H-pyrido[3,2-b]indole-4-carboxylate?
The IUPAC name of methyl 2-phenyl-9-phenylmethoxy-5H-pyrido[3,2-b]indole-4-carboxylate (CID 66604014) is methyl 2-phenyl-9-phenylmethoxy-5H-pyrido[3,2-b]indole-4-carboxylate.
What is the SMILES notation for methyl 2-phenyl-9-phenylmethoxy-5H-pyrido[3,2-b]indole-4-carboxylate?
The canonical SMILES for methyl 2-phenyl-9-phenylmethoxy-5H-pyrido[3,2-b]indole-4-carboxylate is COC(=O)c1cc(-c2ccccc2)nc2c1[nH]c1cccc(OCc3ccccc3)c12.
What is the InChIKey of methyl 2-phenyl-9-phenylmethoxy-5H-pyrido[3,2-b]indole-4-carboxylate?
The InChIKey is LOCBGJIZVNCPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O3/c1-30-26(29)19-15-21(18-11-6-3-7-12-18)28-25-23-20(27-24(19)25)13-8-14-22(23)31-16-17-9-4-2-5-10-17/h2-15,27H,16H2,1H3.
What are the key properties of methyl 2-phenyl-9-phenylmethoxy-5H-pyrido[3,2-b]indole-4-carboxylate?
methyl 2-phenyl-9-phenylmethoxy-5H-pyrido[3,2-b]indole-4-carboxylate has a molecular weight of 408.46 g/mol, XLogP of 5.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenyl-9-phenylmethoxy-5H-pyrido[3,2-b]indole-4-carboxylate is sourced from PubChem (CID 66604014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).