2,8-dimethyl-5-[(E)-2-pyridin-4-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride

C20H22ClN3 — CID 140550816

IUPAC2,8-dimethyl-5-[(E)-2-pyridin-4-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride
SMILESCc1ccc2c(c1)c1c(n2/C=C/c2ccncc2)CCN(C)C1.Cl
InChIInChI=1S/C20H21N3.ClH/c1-15-3-4-19-17(13-15)18-14-22(2)11-8-20(18)23(19)12-7-16-5-9-21-10-6-16;/h3-7,9-10,12-13H,8,11,14H2,1-2H3;1H/b12-7+;
InChIKeyPRACMPPTUNXHCS-RRAJOLSVSA-N
MW339.87 g/mol
LogP4.38
Rot. Bonds2

About 2,8-dimethyl-5-[(E)-2-pyridin-4-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride

2,8-dimethyl-5-[(E)-2-pyridin-4-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride (PubChem CID 140550816) has the molecular formula C20H22ClN3 and a molecular weight of 339.87 g/mol. Its IUPAC name is 2,8-dimethyl-5-[(E)-2-pyridin-4-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride.

Molecular Properties

Compound Name2,8-dimethyl-5-[(E)-2-pyridin-4-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride
PubChem CID140550816
Molecular FormulaC20H22ClN3
Molecular Weight339.87 g/mol
Exact Mass339.15
IUPAC Name2,8-dimethyl-5-[(E)-2-pyridin-4-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride
SMILESCc1ccc2c(c1)c1c(n2/C=C/c2ccncc2)CCN(C)C1.Cl
InChIInChI=1S/C20H21N3.ClH/c1-15-3-4-19-17(13-15)18-14-22(2)11-8-20(18)23(19)12-7-16-5-9-21-10-6-16;/h3-7,9-10,12-13H,8,11,14H2,1-2H3;1H/b12-7+;
InChIKeyPRACMPPTUNXHCS-RRAJOLSVSA-N
XLogP4.38
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,8-dimethyl-5-[(E)-2-pyridin-4-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride with MolForge

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Related Compounds

2-methyl-5-(2-pyridin-4-ylethenyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 91037261
2,8-dimethyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-pyridin-2-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(Z)-2-pyridin-3-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-pyridin-4-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 162244226
2,8-dimethyl-5-[(Z)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 46199734
2,8-dimethyl-5-[(E)-2-pyridin-4-ylbut-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 59455070
2-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 59455181
6-[2-(4-chlorophenyl)ethenyl]-3,9-dimethyl-1,2,4,5-tetrahydroazepino[4,5-b]indole
CID 68562272
2,8-dimethyl-5-[(E)-2-naphthalen-1-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 118011586
3,9-dimethyl-6-[(Z)-2-pyridin-4-ylprop-1-enyl]-1,2,4,5-tetrahydroazepino[4,5-b]indole
CID 46190719
5-(2,2-diphenylethenyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 59455232
8-fluoro-2-methyl-5-[(E)-2-pyridin-2-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride
CID 140550812
2,8-dimethyl-5-[(E)-3-(4-methylphenyl)prop-2-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 67312399
5-[(E)-2-cyclopropylprop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 59455236

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-5-[(E)-2-pyridin-4-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride?
The IUPAC name of 2,8-dimethyl-5-[(E)-2-pyridin-4-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride (CID 140550816) is 2,8-dimethyl-5-[(E)-2-pyridin-4-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride.
What is the SMILES notation for 2,8-dimethyl-5-[(E)-2-pyridin-4-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride?
The canonical SMILES for 2,8-dimethyl-5-[(E)-2-pyridin-4-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride is Cc1ccc2c(c1)c1c(n2/C=C/c2ccncc2)CCN(C)C1.Cl.
What is the InChIKey of 2,8-dimethyl-5-[(E)-2-pyridin-4-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride?
The InChIKey is PRACMPPTUNXHCS-RRAJOLSVSA-N. The full InChI is InChI=1S/C20H21N3.ClH/c1-15-3-4-19-17(13-15)18-14-22(2)11-8-20(18)23(19)12-7-16-5-9-21-10-6-16;/h3-7,9-10,12-13H,8,11,14H2,1-2H3;1H/b12-7+;.
What are the key properties of 2,8-dimethyl-5-[(E)-2-pyridin-4-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride?
2,8-dimethyl-5-[(E)-2-pyridin-4-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-5-[(E)-2-pyridin-4-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride is sourced from PubChem (CID 140550816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).