3-phenylmethoxy-9H-pyrido[3,4-b]indole

C18H14N2O — CID 10335601

IUPAC3-phenylmethoxy-9H-pyrido[3,4-b]indole
SMILESc1ccc(COc2cc3c(cn2)[nH]c2ccccc23)cc1
InChIInChI=1S/C18H14N2O/c1-2-6-13(7-3-1)12-21-18-10-15-14-8-4-5-9-16(14)20-17(15)11-19-18/h1-11,20H,12H2
InChIKeyZROLETFFKMIVMZ-UHFFFAOYSA-N
MW274.32 g/mol
LogP4.30
Rot. Bonds3

About 3-phenylmethoxy-9H-pyrido[3,4-b]indole

3-phenylmethoxy-9H-pyrido[3,4-b]indole (PubChem CID 10335601) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-phenylmethoxy-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name3-phenylmethoxy-9H-pyrido[3,4-b]indole
PubChem CID10335601
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name3-phenylmethoxy-9H-pyrido[3,4-b]indole
SMILESc1ccc(COc2cc3c(cn2)[nH]c2ccccc23)cc1
InChIInChI=1S/C18H14N2O/c1-2-6-13(7-3-1)12-21-18-10-15-14-8-4-5-9-16(14)20-17(15)11-19-18/h1-11,20H,12H2
InChIKeyZROLETFFKMIVMZ-UHFFFAOYSA-N
XLogP4.30
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-phenylmethoxy-9H-pyrido[3,4-b]indole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxy-9H-pyrido[3,4-b]indole?
The IUPAC name of 3-phenylmethoxy-9H-pyrido[3,4-b]indole (CID 10335601) is 3-phenylmethoxy-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 3-phenylmethoxy-9H-pyrido[3,4-b]indole?
The canonical SMILES for 3-phenylmethoxy-9H-pyrido[3,4-b]indole is c1ccc(COc2cc3c(cn2)[nH]c2ccccc23)cc1.
What is the InChIKey of 3-phenylmethoxy-9H-pyrido[3,4-b]indole?
The InChIKey is ZROLETFFKMIVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c1-2-6-13(7-3-1)12-21-18-10-15-14-8-4-5-9-16(14)20-17(15)11-19-18/h1-11,20H,12H2.
What are the key properties of 3-phenylmethoxy-9H-pyrido[3,4-b]indole?
3-phenylmethoxy-9H-pyrido[3,4-b]indole has a molecular weight of 274.32 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxy-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 10335601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).