2,8-dimethyl-5-[(Z)-2-(4-methylphenyl)ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole

C22H24N2 — CID 46224881

IUPAC2,8-dimethyl-5-[(Z)-2-(4-methylphenyl)ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCc1ccc(/C=C\n2c3c(c4cc(C)ccc42)CN(C)CC3)cc1
InChIInChI=1S/C22H24N2/c1-16-4-7-18(8-5-16)10-13-24-21-9-6-17(2)14-19(21)20-15-23(3)12-11-22(20)24/h4-10,13-14H,11-12,15H2,1-3H3/b13-10-
InChIKeyPGTITFHSGHMHPT-RAXLEYEMSA-N
MW316.45 g/mol
LogP4.87
Rot. Bonds2

About 2,8-dimethyl-5-[(Z)-2-(4-methylphenyl)ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole

2,8-dimethyl-5-[(Z)-2-(4-methylphenyl)ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 46224881) has the molecular formula C22H24N2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 2,8-dimethyl-5-[(Z)-2-(4-methylphenyl)ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name2,8-dimethyl-5-[(Z)-2-(4-methylphenyl)ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID46224881
Molecular FormulaC22H24N2
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC Name2,8-dimethyl-5-[(Z)-2-(4-methylphenyl)ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCc1ccc(/C=C\n2c3c(c4cc(C)ccc42)CN(C)CC3)cc1
InChIInChI=1S/C22H24N2/c1-16-4-7-18(8-5-16)10-13-24-21-9-6-17(2)14-19(21)20-15-23(3)12-11-22(20)24/h4-10,13-14H,11-12,15H2,1-3H3/b13-10-
InChIKeyPGTITFHSGHMHPT-RAXLEYEMSA-N
XLogP4.87
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-5-[(Z)-2-(4-methylphenyl)ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 2,8-dimethyl-5-[(Z)-2-(4-methylphenyl)ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 46224881) is 2,8-dimethyl-5-[(Z)-2-(4-methylphenyl)ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 2,8-dimethyl-5-[(Z)-2-(4-methylphenyl)ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 2,8-dimethyl-5-[(Z)-2-(4-methylphenyl)ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole is Cc1ccc(/C=C\n2c3c(c4cc(C)ccc42)CN(C)CC3)cc1.
What is the InChIKey of 2,8-dimethyl-5-[(Z)-2-(4-methylphenyl)ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is PGTITFHSGHMHPT-RAXLEYEMSA-N. The full InChI is InChI=1S/C22H24N2/c1-16-4-7-18(8-5-16)10-13-24-21-9-6-17(2)14-19(21)20-15-23(3)12-11-22(20)24/h4-10,13-14H,11-12,15H2,1-3H3/b13-10-.
What are the key properties of 2,8-dimethyl-5-[(Z)-2-(4-methylphenyl)ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?
2,8-dimethyl-5-[(Z)-2-(4-methylphenyl)ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 316.45 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-5-[(Z)-2-(4-methylphenyl)ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 46224881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).