9-[2-(4-methoxyphenyl)prop-1-enyl]-6-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole

C22H24N2O — CID 123942956

IUPAC9-[2-(4-methoxyphenyl)prop-1-enyl]-6-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
SMILESCOc1ccc(C(C)=Cn2c3c(c4cc(C)ccc42)CCNC3)cc1
InChIInChI=1S/C22H24N2O/c1-15-4-9-21-20(12-15)19-10-11-23-13-22(19)24(21)14-16(2)17-5-7-18(25-3)8-6-17/h4-9,12,14,23H,10-11,13H2,1-3H3
InChIKeyHMKPRZWNBILQEA-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.62
Rot. Bonds3

About 9-[2-(4-methoxyphenyl)prop-1-enyl]-6-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole

9-[2-(4-methoxyphenyl)prop-1-enyl]-6-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole (PubChem CID 123942956) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 9-[2-(4-methoxyphenyl)prop-1-enyl]-6-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole.

Molecular Properties

Compound Name9-[2-(4-methoxyphenyl)prop-1-enyl]-6-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
PubChem CID123942956
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name9-[2-(4-methoxyphenyl)prop-1-enyl]-6-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
SMILESCOc1ccc(C(C)=Cn2c3c(c4cc(C)ccc42)CCNC3)cc1
InChIInChI=1S/C22H24N2O/c1-15-4-9-21-20(12-15)19-10-11-23-13-22(19)24(21)14-16(2)17-5-7-18(25-3)8-6-17/h4-9,12,14,23H,10-11,13H2,1-3H3
InChIKeyHMKPRZWNBILQEA-UHFFFAOYSA-N
XLogP4.62
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(4-methoxyphenyl)prop-1-enyl]-6-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole?
The IUPAC name of 9-[2-(4-methoxyphenyl)prop-1-enyl]-6-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole (CID 123942956) is 9-[2-(4-methoxyphenyl)prop-1-enyl]-6-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole.
What is the SMILES notation for 9-[2-(4-methoxyphenyl)prop-1-enyl]-6-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole?
The canonical SMILES for 9-[2-(4-methoxyphenyl)prop-1-enyl]-6-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole is COc1ccc(C(C)=Cn2c3c(c4cc(C)ccc42)CCNC3)cc1.
What is the InChIKey of 9-[2-(4-methoxyphenyl)prop-1-enyl]-6-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole?
The InChIKey is HMKPRZWNBILQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-15-4-9-21-20(12-15)19-10-11-23-13-22(19)24(21)14-16(2)17-5-7-18(25-3)8-6-17/h4-9,12,14,23H,10-11,13H2,1-3H3.
What are the key properties of 9-[2-(4-methoxyphenyl)prop-1-enyl]-6-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole?
9-[2-(4-methoxyphenyl)prop-1-enyl]-6-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole has a molecular weight of 332.45 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4-methoxyphenyl)prop-1-enyl]-6-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole is sourced from PubChem (CID 123942956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).