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

C18H14N2O2 — CID 44563276

IUPAC4-(4-hydroxyphenyl)-9-methyl-2H-pyrido[3,4-b]indol-1-one
SMILESCn1c2ccccc2c2c(-c3ccc(O)cc3)c[nH]c(=O)c21
InChIInChI=1S/C18H14N2O2/c1-20-15-5-3-2-4-13(15)16-14(10-19-18(22)17(16)20)11-6-8-12(21)9-7-11/h2-10,21H,1H3,(H,19,22)
InChIKeyTVBLFOLSJWLQNX-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.39
Rot. Bonds1

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

4-(4-hydroxyphenyl)-9-methyl-2H-pyrido[3,4-b]indol-1-one (PubChem CID 44563276) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)-9-methyl-2H-pyrido[3,4-b]indol-1-one.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)-9-methyl-2H-pyrido[3,4-b]indol-1-one
PubChem CID44563276
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name4-(4-hydroxyphenyl)-9-methyl-2H-pyrido[3,4-b]indol-1-one
SMILESCn1c2ccccc2c2c(-c3ccc(O)cc3)c[nH]c(=O)c21
InChIInChI=1S/C18H14N2O2/c1-20-15-5-3-2-4-13(15)16-14(10-19-18(22)17(16)20)11-6-8-12(21)9-7-11/h2-10,21H,1H3,(H,19,22)
InChIKeyTVBLFOLSJWLQNX-UHFFFAOYSA-N
XLogP3.39
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)-9-methyl-2H-pyrido[3,4-b]indol-1-one?
The IUPAC name of 4-(4-hydroxyphenyl)-9-methyl-2H-pyrido[3,4-b]indol-1-one (CID 44563276) is 4-(4-hydroxyphenyl)-9-methyl-2H-pyrido[3,4-b]indol-1-one.
What is the SMILES notation for 4-(4-hydroxyphenyl)-9-methyl-2H-pyrido[3,4-b]indol-1-one?
The canonical SMILES for 4-(4-hydroxyphenyl)-9-methyl-2H-pyrido[3,4-b]indol-1-one is Cn1c2ccccc2c2c(-c3ccc(O)cc3)c[nH]c(=O)c21.
What is the InChIKey of 4-(4-hydroxyphenyl)-9-methyl-2H-pyrido[3,4-b]indol-1-one?
The InChIKey is TVBLFOLSJWLQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c1-20-15-5-3-2-4-13(15)16-14(10-19-18(22)17(16)20)11-6-8-12(21)9-7-11/h2-10,21H,1H3,(H,19,22).
What are the key properties of 4-(4-hydroxyphenyl)-9-methyl-2H-pyrido[3,4-b]indol-1-one?
4-(4-hydroxyphenyl)-9-methyl-2H-pyrido[3,4-b]indol-1-one has a molecular weight of 290.32 g/mol, XLogP of 3.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)-9-methyl-2H-pyrido[3,4-b]indol-1-one is sourced from PubChem (CID 44563276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).