methyl 2-(4-methoxyphenyl)-7-phenylmethoxy-5H-pyrido[3,2-b]indole-4-carboxylate

C27H22N2O4 — CID 66605654

IUPACmethyl 2-(4-methoxyphenyl)-7-phenylmethoxy-5H-pyrido[3,2-b]indole-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(OC)cc2)nc2c1[nH]c1cc(OCc3ccccc3)ccc12
InChIInChI=1S/C27H22N2O4/c1-31-19-10-8-18(9-11-19)23-15-22(27(30)32-2)26-25(28-23)21-13-12-20(14-24(21)29-26)33-16-17-6-4-3-5-7-17/h3-15,29H,16H2,1-2H3
InChIKeyQYLAZPDLFBZPRU-UHFFFAOYSA-N
MW438.48 g/mol
LogP5.76
Rot. Bonds6

About methyl 2-(4-methoxyphenyl)-7-phenylmethoxy-5H-pyrido[3,2-b]indole-4-carboxylate

methyl 2-(4-methoxyphenyl)-7-phenylmethoxy-5H-pyrido[3,2-b]indole-4-carboxylate (PubChem CID 66605654) has the molecular formula C27H22N2O4 and a molecular weight of 438.48 g/mol. Its IUPAC name is methyl 2-(4-methoxyphenyl)-7-phenylmethoxy-5H-pyrido[3,2-b]indole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-methoxyphenyl)-7-phenylmethoxy-5H-pyrido[3,2-b]indole-4-carboxylate
PubChem CID66605654
Molecular FormulaC27H22N2O4
Molecular Weight438.48 g/mol
Exact Mass438.16
IUPAC Namemethyl 2-(4-methoxyphenyl)-7-phenylmethoxy-5H-pyrido[3,2-b]indole-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(OC)cc2)nc2c1[nH]c1cc(OCc3ccccc3)ccc12
InChIInChI=1S/C27H22N2O4/c1-31-19-10-8-18(9-11-19)23-15-22(27(30)32-2)26-25(28-23)21-13-12-20(14-24(21)29-26)33-16-17-6-4-3-5-7-17/h3-15,29H,16H2,1-2H3
InChIKeyQYLAZPDLFBZPRU-UHFFFAOYSA-N
XLogP5.76
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.48
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-(4-methoxyphenyl)-7-phenylmethoxy-5H-pyrido[3,2-b]indole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-phenyl-9-phenylmethoxy-5H-pyrido[3,2-b]indole-4-carboxylate
CID 66604014
methyl 6-phenylmethoxy-1H-indole-3-carboxylate
CID 57455165
2-(3-fluoro-4-methoxyphenyl)-7-methoxycarbonyl-5H-pyrido[3,2-b]indole-4-carboxylic acid
CID 66605183
methyl 7-morpholin-4-ylsulfonyl-2-phenyl-5H-pyrido[3,2-b]indole-4-carboxylate
CID 66604846
methyl 7-(2-morpholin-4-ylethoxy)-2-[3-(trifluoromethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxylate
CID 66604728
2,6-bis(4-methoxyphenyl)-4-(4-phenylmethoxyphenyl)pyridine
CID 132564654
dimethyl 6-phenylmethoxyquinoline-2,4-dicarboxylate
CID 10991740
6-ethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid
CID 4711645
8-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate
CID 7139650
methyl 2-methyl-4-phenylmethoxybenzoate
CID 21194710
methyl 3-methoxy-7-phenylmethoxynaphthalene-2-carboxylate
CID 54308363
6-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid
CID 4711644

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methoxyphenyl)-7-phenylmethoxy-5H-pyrido[3,2-b]indole-4-carboxylate?
The IUPAC name of methyl 2-(4-methoxyphenyl)-7-phenylmethoxy-5H-pyrido[3,2-b]indole-4-carboxylate (CID 66605654) is methyl 2-(4-methoxyphenyl)-7-phenylmethoxy-5H-pyrido[3,2-b]indole-4-carboxylate.
What is the SMILES notation for methyl 2-(4-methoxyphenyl)-7-phenylmethoxy-5H-pyrido[3,2-b]indole-4-carboxylate?
The canonical SMILES for methyl 2-(4-methoxyphenyl)-7-phenylmethoxy-5H-pyrido[3,2-b]indole-4-carboxylate is COC(=O)c1cc(-c2ccc(OC)cc2)nc2c1[nH]c1cc(OCc3ccccc3)ccc12.
What is the InChIKey of methyl 2-(4-methoxyphenyl)-7-phenylmethoxy-5H-pyrido[3,2-b]indole-4-carboxylate?
The InChIKey is QYLAZPDLFBZPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O4/c1-31-19-10-8-18(9-11-19)23-15-22(27(30)32-2)26-25(28-23)21-13-12-20(14-24(21)29-26)33-16-17-6-4-3-5-7-17/h3-15,29H,16H2,1-2H3.
What are the key properties of methyl 2-(4-methoxyphenyl)-7-phenylmethoxy-5H-pyrido[3,2-b]indole-4-carboxylate?
methyl 2-(4-methoxyphenyl)-7-phenylmethoxy-5H-pyrido[3,2-b]indole-4-carboxylate has a molecular weight of 438.48 g/mol, XLogP of 5.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methoxyphenyl)-7-phenylmethoxy-5H-pyrido[3,2-b]indole-4-carboxylate is sourced from PubChem (CID 66605654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).