5-[3-(4-methoxyphenyl)prop-2-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole

C23H26N2O — CID 67311953

IUPAC5-[3-(4-methoxyphenyl)prop-2-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCOc1ccc(C=CCn2c3c(c4cc(C)ccc42)CN(C)CC3)cc1
InChIInChI=1S/C23H26N2O/c1-17-6-11-22-20(15-17)21-16-24(2)14-12-23(21)25(22)13-4-5-18-7-9-19(26-3)10-8-18/h4-11,15H,12-14,16H2,1-3H3
InChIKeyWHFVNKIEXOEYOH-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.66
Rot. Bonds4

About 5-[3-(4-methoxyphenyl)prop-2-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole

5-[3-(4-methoxyphenyl)prop-2-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 67311953) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is 5-[3-(4-methoxyphenyl)prop-2-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-[3-(4-methoxyphenyl)prop-2-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID67311953
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Name5-[3-(4-methoxyphenyl)prop-2-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCOc1ccc(C=CCn2c3c(c4cc(C)ccc42)CN(C)CC3)cc1
InChIInChI=1S/C23H26N2O/c1-17-6-11-22-20(15-17)21-16-24(2)14-12-23(21)25(22)13-4-5-18-7-9-19(26-3)10-8-18/h4-11,15H,12-14,16H2,1-3H3
InChIKeyWHFVNKIEXOEYOH-UHFFFAOYSA-N
XLogP4.66
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 5-[3-(4-methoxyphenyl)prop-2-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 5-[3-(4-methoxyphenyl)prop-2-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 67311953) is 5-[3-(4-methoxyphenyl)prop-2-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 5-[3-(4-methoxyphenyl)prop-2-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 5-[3-(4-methoxyphenyl)prop-2-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole is COc1ccc(C=CCn2c3c(c4cc(C)ccc42)CN(C)CC3)cc1.
What is the InChIKey of 5-[3-(4-methoxyphenyl)prop-2-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is WHFVNKIEXOEYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c1-17-6-11-22-20(15-17)21-16-24(2)14-12-23(21)25(22)13-4-5-18-7-9-19(26-3)10-8-18/h4-11,15H,12-14,16H2,1-3H3.
What are the key properties of 5-[3-(4-methoxyphenyl)prop-2-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
5-[3-(4-methoxyphenyl)prop-2-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 346.47 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-methoxyphenyl)prop-2-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 67311953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).