4-(4-methoxyphenyl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one;hydrochloride

C24H24ClN3O2 — CID 68657559

IUPAC4-(4-methoxyphenyl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one;hydrochloride
SMILESCOc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CNCC5)c(=O)c2)cc1.Cl
InChIInChI=1S/C24H23N3O2.ClH/c1-26-22-14-18(5-8-20(22)21-9-11-25-15-23(21)26)27-12-10-17(13-24(27)28)16-3-6-19(29-2)7-4-16;/h3-8,10,12-14,25H,9,11,15H2,1-2H3;1H
InChIKeyTZJPUOKWJYIHCH-UHFFFAOYSA-N
MW421.93 g/mol
LogP4.07
Rot. Bonds3

About 4-(4-methoxyphenyl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one;hydrochloride

4-(4-methoxyphenyl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one;hydrochloride (PubChem CID 68657559) has the molecular formula C24H24ClN3O2 and a molecular weight of 421.93 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one;hydrochloride
PubChem CID68657559
Molecular FormulaC24H24ClN3O2
Molecular Weight421.93 g/mol
Exact Mass421.16
IUPAC Name4-(4-methoxyphenyl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one;hydrochloride
SMILESCOc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CNCC5)c(=O)c2)cc1.Cl
InChIInChI=1S/C24H23N3O2.ClH/c1-26-22-14-18(5-8-20(22)21-9-11-25-15-23(21)26)27-12-10-17(13-24(27)28)16-3-6-19(29-2)7-4-16;/h3-8,10,12-14,25H,9,11,15H2,1-2H3;1H
InChIKeyTZJPUOKWJYIHCH-UHFFFAOYSA-N
XLogP4.07
TPSA48.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one;hydrochloride?
The IUPAC name of 4-(4-methoxyphenyl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one;hydrochloride (CID 68657559) is 4-(4-methoxyphenyl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one;hydrochloride.
What is the SMILES notation for 4-(4-methoxyphenyl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one;hydrochloride?
The canonical SMILES for 4-(4-methoxyphenyl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one;hydrochloride is COc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CNCC5)c(=O)c2)cc1.Cl.
What is the InChIKey of 4-(4-methoxyphenyl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one;hydrochloride?
The InChIKey is TZJPUOKWJYIHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2.ClH/c1-26-22-14-18(5-8-20(22)21-9-11-25-15-23(21)26)27-12-10-17(13-24(27)28)16-3-6-19(29-2)7-4-16;/h3-8,10,12-14,25H,9,11,15H2,1-2H3;1H.
What are the key properties of 4-(4-methoxyphenyl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one;hydrochloride?
4-(4-methoxyphenyl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one;hydrochloride has a molecular weight of 421.93 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one;hydrochloride is sourced from PubChem (CID 68657559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).