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

C20H18N2O3 — CID 24951139

IUPAC6,7-dimethoxy-9-methyl-4-phenyl-2H-pyrido[3,4-b]indol-1-one
SMILESCOc1cc2c3c(-c4ccccc4)c[nH]c(=O)c3n(C)c2cc1OC
InChIInChI=1S/C20H18N2O3/c1-22-15-10-17(25-3)16(24-2)9-13(15)18-14(11-21-20(23)19(18)22)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,21,23)
InChIKeyIJYDBAXDVRHBCC-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.70
Rot. Bonds3

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

6,7-dimethoxy-9-methyl-4-phenyl-2H-pyrido[3,4-b]indol-1-one (PubChem CID 24951139) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 6,7-dimethoxy-9-methyl-4-phenyl-2H-pyrido[3,4-b]indol-1-one.

Molecular Properties

Compound Name6,7-dimethoxy-9-methyl-4-phenyl-2H-pyrido[3,4-b]indol-1-one
PubChem CID24951139
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name6,7-dimethoxy-9-methyl-4-phenyl-2H-pyrido[3,4-b]indol-1-one
SMILESCOc1cc2c3c(-c4ccccc4)c[nH]c(=O)c3n(C)c2cc1OC
InChIInChI=1S/C20H18N2O3/c1-22-15-10-17(25-3)16(24-2)9-13(15)18-14(11-21-20(23)19(18)22)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,21,23)
InChIKeyIJYDBAXDVRHBCC-UHFFFAOYSA-N
XLogP3.70
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-9-methyl-4-phenyl-2H-pyrido[3,4-b]indol-1-one?
The IUPAC name of 6,7-dimethoxy-9-methyl-4-phenyl-2H-pyrido[3,4-b]indol-1-one (CID 24951139) is 6,7-dimethoxy-9-methyl-4-phenyl-2H-pyrido[3,4-b]indol-1-one.
What is the SMILES notation for 6,7-dimethoxy-9-methyl-4-phenyl-2H-pyrido[3,4-b]indol-1-one?
The canonical SMILES for 6,7-dimethoxy-9-methyl-4-phenyl-2H-pyrido[3,4-b]indol-1-one is COc1cc2c3c(-c4ccccc4)c[nH]c(=O)c3n(C)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-9-methyl-4-phenyl-2H-pyrido[3,4-b]indol-1-one?
The InChIKey is IJYDBAXDVRHBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-22-15-10-17(25-3)16(24-2)9-13(15)18-14(11-21-20(23)19(18)22)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,21,23).
What are the key properties of 6,7-dimethoxy-9-methyl-4-phenyl-2H-pyrido[3,4-b]indol-1-one?
6,7-dimethoxy-9-methyl-4-phenyl-2H-pyrido[3,4-b]indol-1-one has a molecular weight of 334.38 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-9-methyl-4-phenyl-2H-pyrido[3,4-b]indol-1-one is sourced from PubChem (CID 24951139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).