9-phenylmethoxy-6H-pyrido[4,3-b]carbazole-5,11-dione

C22H14N2O3 — CID 155200949

IUPAC9-phenylmethoxy-6H-pyrido[4,3-b]carbazole-5,11-dione
SMILESO=C1c2ccncc2C(=O)c2c1[nH]c1ccc(OCc3ccccc3)cc21
InChIInChI=1S/C22H14N2O3/c25-21-17-11-23-9-8-15(17)22(26)20-19(21)16-10-14(6-7-18(16)24-20)27-12-13-4-2-1-3-5-13/h1-11,24H,12H2
InChIKeyAGXPQEBWQCPREE-UHFFFAOYSA-N
MW354.37 g/mol
LogP3.92
Rot. Bonds3

About 9-phenylmethoxy-6H-pyrido[4,3-b]carbazole-5,11-dione

9-phenylmethoxy-6H-pyrido[4,3-b]carbazole-5,11-dione (PubChem CID 155200949) has the molecular formula C22H14N2O3 and a molecular weight of 354.37 g/mol. Its IUPAC name is 9-phenylmethoxy-6H-pyrido[4,3-b]carbazole-5,11-dione.

Molecular Properties

Compound Name9-phenylmethoxy-6H-pyrido[4,3-b]carbazole-5,11-dione
PubChem CID155200949
Molecular FormulaC22H14N2O3
Molecular Weight354.37 g/mol
Exact Mass354.10
IUPAC Name9-phenylmethoxy-6H-pyrido[4,3-b]carbazole-5,11-dione
SMILESO=C1c2ccncc2C(=O)c2c1[nH]c1ccc(OCc3ccccc3)cc21
InChIInChI=1S/C22H14N2O3/c25-21-17-11-23-9-8-15(17)22(26)20-19(21)16-10-14(6-7-18(16)24-20)27-12-13-4-2-1-3-5-13/h1-11,24H,12H2
InChIKeyAGXPQEBWQCPREE-UHFFFAOYSA-N
XLogP3.92
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze 9-phenylmethoxy-6H-pyrido[4,3-b]carbazole-5,11-dione with MolForge

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

Launch Full Analysis

Related Compounds

9-(benzenesulfonyl)-6H-pyrido[4,3-b]carbazole-5,11-dione
CID 155200936
8,9-dimethyl-6H-pyrido[4,3-b]carbazole-5,11-dione
CID 155200944
2-phenylmethoxy-7,8,9,10-tetrahydro-5H-cyclohepta[b]indol-6-one
CID 40628715
ethyl 6-(5,11-dioxo-6H-pyrido[4,3-b]carbazol-9-yl)pyridine-2-carboxylate
CID 155200894
6,16,26-tris(phenylmethoxy)-10,20,30-triazaheptacyclo[21.7.0.03,11.04,9.013,21.014,19.024,29]triaconta-1(23),3(11),4(9),5,7,13(21),14(19),15,17,24(29),25,27-dodecaene
CID 101011137
2,6-bis(phenylmethoxy)anthracene-9,10-dione
CID 147621413
3-fluoro-5-phenylmethoxy-2-(2-phenylphenyl)-1H-indole
CID 155265615
3-fluoro-2-(2-methylphenyl)-5-phenylmethoxy-1H-indole
CID 151415976
5-nitro-2-phenylmethoxy-10H-acridin-9-one
CID 54300610
5-[2-(3,5-dimethylphenyl)-5-phenylmethoxy-1H-indol-3-yl]-4-ethylisoindole-1,3-dione
CID 67662643
6-phenylmethoxy-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 3880139
methyl 6,11-dioxo-5H-benzo[b]carbazole-2-carboxylate
CID 170638986

Frequently Asked Questions

What is the IUPAC name of 9-phenylmethoxy-6H-pyrido[4,3-b]carbazole-5,11-dione?
The IUPAC name of 9-phenylmethoxy-6H-pyrido[4,3-b]carbazole-5,11-dione (CID 155200949) is 9-phenylmethoxy-6H-pyrido[4,3-b]carbazole-5,11-dione.
What is the SMILES notation for 9-phenylmethoxy-6H-pyrido[4,3-b]carbazole-5,11-dione?
The canonical SMILES for 9-phenylmethoxy-6H-pyrido[4,3-b]carbazole-5,11-dione is O=C1c2ccncc2C(=O)c2c1[nH]c1ccc(OCc3ccccc3)cc21.
What is the InChIKey of 9-phenylmethoxy-6H-pyrido[4,3-b]carbazole-5,11-dione?
The InChIKey is AGXPQEBWQCPREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2O3/c25-21-17-11-23-9-8-15(17)22(26)20-19(21)16-10-14(6-7-18(16)24-20)27-12-13-4-2-1-3-5-13/h1-11,24H,12H2.
What are the key properties of 9-phenylmethoxy-6H-pyrido[4,3-b]carbazole-5,11-dione?
9-phenylmethoxy-6H-pyrido[4,3-b]carbazole-5,11-dione has a molecular weight of 354.37 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenylmethoxy-6H-pyrido[4,3-b]carbazole-5,11-dione is sourced from PubChem (CID 155200949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).