4-(4-hydroxyphenyl)-6,7-dimethoxy-9-methyl-2H-pyrido[3,4-b]indol-1-one

C20H18N2O4 — CID 25147782

IUPAC4-(4-hydroxyphenyl)-6,7-dimethoxy-9-methyl-2H-pyrido[3,4-b]indol-1-one
SMILESCOc1cc2c3c(-c4ccc(O)cc4)c[nH]c(=O)c3n(C)c2cc1OC
InChIInChI=1S/C20H18N2O4/c1-22-15-9-17(26-3)16(25-2)8-13(15)18-14(10-21-20(24)19(18)22)11-4-6-12(23)7-5-11/h4-10,23H,1-3H3,(H,21,24)
InChIKeyJIYDBXONPAAZPB-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.41
Rot. Bonds3

About 4-(4-hydroxyphenyl)-6,7-dimethoxy-9-methyl-2H-pyrido[3,4-b]indol-1-one

4-(4-hydroxyphenyl)-6,7-dimethoxy-9-methyl-2H-pyrido[3,4-b]indol-1-one (PubChem CID 25147782) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)-6,7-dimethoxy-9-methyl-2H-pyrido[3,4-b]indol-1-one.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)-6,7-dimethoxy-9-methyl-2H-pyrido[3,4-b]indol-1-one
PubChem CID25147782
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name4-(4-hydroxyphenyl)-6,7-dimethoxy-9-methyl-2H-pyrido[3,4-b]indol-1-one
SMILESCOc1cc2c3c(-c4ccc(O)cc4)c[nH]c(=O)c3n(C)c2cc1OC
InChIInChI=1S/C20H18N2O4/c1-22-15-9-17(26-3)16(25-2)8-13(15)18-14(10-21-20(24)19(18)22)11-4-6-12(23)7-5-11/h4-10,23H,1-3H3,(H,21,24)
InChIKeyJIYDBXONPAAZPB-UHFFFAOYSA-N
XLogP3.41
TPSA76.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)-6,7-dimethoxy-9-methyl-2H-pyrido[3,4-b]indol-1-one?
The IUPAC name of 4-(4-hydroxyphenyl)-6,7-dimethoxy-9-methyl-2H-pyrido[3,4-b]indol-1-one (CID 25147782) is 4-(4-hydroxyphenyl)-6,7-dimethoxy-9-methyl-2H-pyrido[3,4-b]indol-1-one.
What is the SMILES notation for 4-(4-hydroxyphenyl)-6,7-dimethoxy-9-methyl-2H-pyrido[3,4-b]indol-1-one?
The canonical SMILES for 4-(4-hydroxyphenyl)-6,7-dimethoxy-9-methyl-2H-pyrido[3,4-b]indol-1-one is COc1cc2c3c(-c4ccc(O)cc4)c[nH]c(=O)c3n(C)c2cc1OC.
What is the InChIKey of 4-(4-hydroxyphenyl)-6,7-dimethoxy-9-methyl-2H-pyrido[3,4-b]indol-1-one?
The InChIKey is JIYDBXONPAAZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-22-15-9-17(26-3)16(25-2)8-13(15)18-14(10-21-20(24)19(18)22)11-4-6-12(23)7-5-11/h4-10,23H,1-3H3,(H,21,24).
What are the key properties of 4-(4-hydroxyphenyl)-6,7-dimethoxy-9-methyl-2H-pyrido[3,4-b]indol-1-one?
4-(4-hydroxyphenyl)-6,7-dimethoxy-9-methyl-2H-pyrido[3,4-b]indol-1-one has a molecular weight of 350.37 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)-6,7-dimethoxy-9-methyl-2H-pyrido[3,4-b]indol-1-one is sourced from PubChem (CID 25147782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).