1-(3,5-dimethoxyphenyl)-9H-pyrido[3,4-b]indole

C19H16N2O2 — CID 71740737

IUPAC1-(3,5-dimethoxyphenyl)-9H-pyrido[3,4-b]indole
SMILESCOc1cc(OC)cc(-c2nccc3c2[nH]c2ccccc23)c1
InChIInChI=1S/C19H16N2O2/c1-22-13-9-12(10-14(11-13)23-2)18-19-16(7-8-20-18)15-5-3-4-6-17(15)21-19/h3-11,21H,1-2H3
InChIKeyMWKPNYZOQNIQJS-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.40
Rot. Bonds3

About 1-(3,5-dimethoxyphenyl)-9H-pyrido[3,4-b]indole

1-(3,5-dimethoxyphenyl)-9H-pyrido[3,4-b]indole (PubChem CID 71740737) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-9H-pyrido[3,4-b]indole
PubChem CID71740737
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name1-(3,5-dimethoxyphenyl)-9H-pyrido[3,4-b]indole
SMILESCOc1cc(OC)cc(-c2nccc3c2[nH]c2ccccc23)c1
InChIInChI=1S/C19H16N2O2/c1-22-13-9-12(10-14(11-13)23-2)18-19-16(7-8-20-18)15-5-3-4-6-17(15)21-19/h3-11,21H,1-2H3
InChIKeyMWKPNYZOQNIQJS-UHFFFAOYSA-N
XLogP4.40
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-naphthalen-2-yl-9H-pyrido[3,4-b]indole
CID 91398719
1-pyrimidin-5-yl-9H-pyrido[3,4-b]indole
CID 175790323
3-(9H-pyrido[3,4-b]indol-1-yl)phenol
CID 46244084
1-(4-fluorophenyl)-6-methoxy-9H-pyrido[3,4-b]indole
CID 134134625
1-(2-methylphenyl)-9H-pyrido[3,4-b]indole
CID 134147548
(4-methoxyphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanol
CID 53321045
1-(9H-pyrido[3,4-b]indol-3-yl)-9H-pyrido[3,4-b]indole
CID 70800060
1-(4-methoxyphenyl)-2-(9H-pyrido[3,4-b]indol-1-yl)ethanol
CID 5358763
7-methoxy-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene
CID 24774105
N-[(3-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine
CID 56680103
1-(2-propan-2-ylphenyl)-9H-pyrido[3,4-b]indole
CID 150354253
(E)-1-(4-methoxyphenyl)-3-(9H-pyrido[3,4-b]indol-1-yl)prop-2-en-1-one
CID 90681564

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-9H-pyrido[3,4-b]indole?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-9H-pyrido[3,4-b]indole (CID 71740737) is 1-(3,5-dimethoxyphenyl)-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-9H-pyrido[3,4-b]indole?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-9H-pyrido[3,4-b]indole is COc1cc(OC)cc(-c2nccc3c2[nH]c2ccccc23)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-9H-pyrido[3,4-b]indole?
The InChIKey is MWKPNYZOQNIQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-22-13-9-12(10-14(11-13)23-2)18-19-16(7-8-20-18)15-5-3-4-6-17(15)21-19/h3-11,21H,1-2H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-9H-pyrido[3,4-b]indole?
1-(3,5-dimethoxyphenyl)-9H-pyrido[3,4-b]indole has a molecular weight of 304.35 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 71740737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).