[1-(4-methoxyphenyl)-9-methylpyrido[3,4-b]indol-3-yl]methanamine

C20H19N3O — CID 122185832

IUPAC[1-(4-methoxyphenyl)-9-methylpyrido[3,4-b]indol-3-yl]methanamine
SMILESCOc1ccc(-c2nc(CN)cc3c4ccccc4n(C)c23)cc1
InChIInChI=1S/C20H19N3O/c1-23-18-6-4-3-5-16(18)17-11-14(12-21)22-19(20(17)23)13-7-9-15(24-2)10-8-13/h3-11H,12,21H2,1-2H3
InChIKeyGIWXCFBJMVEXDN-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.86
Rot. Bonds3

About [1-(4-methoxyphenyl)-9-methylpyrido[3,4-b]indol-3-yl]methanamine

[1-(4-methoxyphenyl)-9-methylpyrido[3,4-b]indol-3-yl]methanamine (PubChem CID 122185832) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)-9-methylpyrido[3,4-b]indol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)-9-methylpyrido[3,4-b]indol-3-yl]methanamine
PubChem CID122185832
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name[1-(4-methoxyphenyl)-9-methylpyrido[3,4-b]indol-3-yl]methanamine
SMILESCOc1ccc(-c2nc(CN)cc3c4ccccc4n(C)c23)cc1
InChIInChI=1S/C20H19N3O/c1-23-18-6-4-3-5-16(18)17-11-14(12-21)22-19(20(17)23)13-7-9-15(24-2)10-8-13/h3-11H,12,21H2,1-2H3
InChIKeyGIWXCFBJMVEXDN-UHFFFAOYSA-N
XLogP3.86
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)-9-methylpyrido[3,4-b]indol-3-yl]methanamine?
The IUPAC name of [1-(4-methoxyphenyl)-9-methylpyrido[3,4-b]indol-3-yl]methanamine (CID 122185832) is [1-(4-methoxyphenyl)-9-methylpyrido[3,4-b]indol-3-yl]methanamine.
What is the SMILES notation for [1-(4-methoxyphenyl)-9-methylpyrido[3,4-b]indol-3-yl]methanamine?
The canonical SMILES for [1-(4-methoxyphenyl)-9-methylpyrido[3,4-b]indol-3-yl]methanamine is COc1ccc(-c2nc(CN)cc3c4ccccc4n(C)c23)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)-9-methylpyrido[3,4-b]indol-3-yl]methanamine?
The InChIKey is GIWXCFBJMVEXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-23-18-6-4-3-5-16(18)17-11-14(12-21)22-19(20(17)23)13-7-9-15(24-2)10-8-13/h3-11H,12,21H2,1-2H3.
What are the key properties of [1-(4-methoxyphenyl)-9-methylpyrido[3,4-b]indol-3-yl]methanamine?
[1-(4-methoxyphenyl)-9-methylpyrido[3,4-b]indol-3-yl]methanamine has a molecular weight of 317.39 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)-9-methylpyrido[3,4-b]indol-3-yl]methanamine is sourced from PubChem (CID 122185832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).