ethyl 1-(4-methoxyphenyl)-4-(4-methylphenyl)pyrido[3,2-b]indole-2-carboxylate

C28H24N2O3 — CID 132546432

IUPACethyl 1-(4-methoxyphenyl)-4-(4-methylphenyl)pyrido[3,2-b]indole-2-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(C)cc2)c2nc3ccccc3c-2n1-c1ccc(OC)cc1
InChIInChI=1S/C28H24N2O3/c1-4-33-28(31)25-17-23(19-11-9-18(2)10-12-19)26-27(22-7-5-6-8-24(22)29-26)30(25)20-13-15-21(32-3)16-14-20/h5-17H,4H2,1-3H3
InChIKeyJEOYFYIXVBSOJI-UHFFFAOYSA-N
MW436.51 g/mol
LogP6.29
Rot. Bonds5

About ethyl 1-(4-methoxyphenyl)-4-(4-methylphenyl)pyrido[3,2-b]indole-2-carboxylate

ethyl 1-(4-methoxyphenyl)-4-(4-methylphenyl)pyrido[3,2-b]indole-2-carboxylate (PubChem CID 132546432) has the molecular formula C28H24N2O3 and a molecular weight of 436.51 g/mol. Its IUPAC name is ethyl 1-(4-methoxyphenyl)-4-(4-methylphenyl)pyrido[3,2-b]indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-methoxyphenyl)-4-(4-methylphenyl)pyrido[3,2-b]indole-2-carboxylate
PubChem CID132546432
Molecular FormulaC28H24N2O3
Molecular Weight436.51 g/mol
Exact Mass436.18
IUPAC Nameethyl 1-(4-methoxyphenyl)-4-(4-methylphenyl)pyrido[3,2-b]indole-2-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(C)cc2)c2nc3ccccc3c-2n1-c1ccc(OC)cc1
InChIInChI=1S/C28H24N2O3/c1-4-33-28(31)25-17-23(19-11-9-18(2)10-12-19)26-27(22-7-5-6-8-24(22)29-26)30(25)20-13-15-21(32-3)16-14-20/h5-17H,4H2,1-3H3
InChIKeyJEOYFYIXVBSOJI-UHFFFAOYSA-N
XLogP6.29
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 8-chloro-1-(4-methoxyphenyl)-4-phenylpyrido[3,2-b]indole-2-carboxylate
CID 132546435
ethyl 8-fluoro-1-(4-methoxyphenyl)-4-phenylpyrido[3,2-b]indole-2-carboxylate
CID 132546434
ethyl 3-(4-methoxyphenyl)-5-methyl-2-phenylimidazole-4-carboxylate
CID 132502510
diethyl 1-(4-phenylphenyl)pyrrole-2,5-dicarboxylate
CID 10784928
diethyl 2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanedioate
CID 3783114
2-(4-methoxyphenyl)-1-(4-methylphenyl)-3,5-diphenylpyrrole
CID 12995302
ethyl 6-methoxy-4-naphthalen-2-ylquinoline-2-carboxylate
CID 132534382
ethyl 1-(4-methoxyphenyl)-2,5-dimethyl-4-phenylpyrrole-3-carboxylate
CID 102185323
ethyl 1-(4-ethoxycarbonylphenyl)-5-methoxyindole-2-carboxylate
CID 15881356
ethyl 3-(4-methoxyphenyl)isoquinoline-1-carboxylate
CID 138972364
ethyl 4-(6-methoxy-2-phenylquinazolin-4-yl)benzoate
CID 101425278
ethyl 2-methoxy-6,11-dioxobenzo[b]acridine-12-carboxylate
CID 15417172

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-methoxyphenyl)-4-(4-methylphenyl)pyrido[3,2-b]indole-2-carboxylate?
The IUPAC name of ethyl 1-(4-methoxyphenyl)-4-(4-methylphenyl)pyrido[3,2-b]indole-2-carboxylate (CID 132546432) is ethyl 1-(4-methoxyphenyl)-4-(4-methylphenyl)pyrido[3,2-b]indole-2-carboxylate.
What is the SMILES notation for ethyl 1-(4-methoxyphenyl)-4-(4-methylphenyl)pyrido[3,2-b]indole-2-carboxylate?
The canonical SMILES for ethyl 1-(4-methoxyphenyl)-4-(4-methylphenyl)pyrido[3,2-b]indole-2-carboxylate is CCOC(=O)c1cc(-c2ccc(C)cc2)c2nc3ccccc3c-2n1-c1ccc(OC)cc1.
What is the InChIKey of ethyl 1-(4-methoxyphenyl)-4-(4-methylphenyl)pyrido[3,2-b]indole-2-carboxylate?
The InChIKey is JEOYFYIXVBSOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O3/c1-4-33-28(31)25-17-23(19-11-9-18(2)10-12-19)26-27(22-7-5-6-8-24(22)29-26)30(25)20-13-15-21(32-3)16-14-20/h5-17H,4H2,1-3H3.
What are the key properties of ethyl 1-(4-methoxyphenyl)-4-(4-methylphenyl)pyrido[3,2-b]indole-2-carboxylate?
ethyl 1-(4-methoxyphenyl)-4-(4-methylphenyl)pyrido[3,2-b]indole-2-carboxylate has a molecular weight of 436.51 g/mol, XLogP of 6.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-methoxyphenyl)-4-(4-methylphenyl)pyrido[3,2-b]indole-2-carboxylate is sourced from PubChem (CID 132546432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).