1-(4-methoxyphenyl)-9-methylpyrido[3,4-b]indole

C19H16N2O — CID 172676899

IUPAC1-(4-methoxyphenyl)-9-methylpyrido[3,4-b]indole
SMILESCOc1ccc(-c2nccc3c4ccccc4n(C)c23)cc1
InChIInChI=1S/C19H16N2O/c1-21-17-6-4-3-5-15(17)16-11-12-20-18(19(16)21)13-7-9-14(22-2)10-8-13/h3-12H,1-2H3
InChIKeyZQKYCPUEPDPPDP-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.40
Rot. Bonds2

About 1-(4-methoxyphenyl)-9-methylpyrido[3,4-b]indole

1-(4-methoxyphenyl)-9-methylpyrido[3,4-b]indole (PubChem CID 172676899) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-9-methylpyrido[3,4-b]indole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-9-methylpyrido[3,4-b]indole
PubChem CID172676899
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name1-(4-methoxyphenyl)-9-methylpyrido[3,4-b]indole
SMILESCOc1ccc(-c2nccc3c4ccccc4n(C)c23)cc1
InChIInChI=1S/C19H16N2O/c1-21-17-6-4-3-5-15(17)16-11-12-20-18(19(16)21)13-7-9-14(22-2)10-8-13/h3-12H,1-2H3
InChIKeyZQKYCPUEPDPPDP-UHFFFAOYSA-N
XLogP4.40
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-9-methylpyrido[3,4-b]indole?
The IUPAC name of 1-(4-methoxyphenyl)-9-methylpyrido[3,4-b]indole (CID 172676899) is 1-(4-methoxyphenyl)-9-methylpyrido[3,4-b]indole.
What is the SMILES notation for 1-(4-methoxyphenyl)-9-methylpyrido[3,4-b]indole?
The canonical SMILES for 1-(4-methoxyphenyl)-9-methylpyrido[3,4-b]indole is COc1ccc(-c2nccc3c4ccccc4n(C)c23)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-9-methylpyrido[3,4-b]indole?
The InChIKey is ZQKYCPUEPDPPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c1-21-17-6-4-3-5-15(17)16-11-12-20-18(19(16)21)13-7-9-14(22-2)10-8-13/h3-12H,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-9-methylpyrido[3,4-b]indole?
1-(4-methoxyphenyl)-9-methylpyrido[3,4-b]indole has a molecular weight of 288.35 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-9-methylpyrido[3,4-b]indole is sourced from PubChem (CID 172676899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).