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

C21H21FN2 — CID 46224914

IUPAC5-[(Z)-2-(4-fluorophenyl)ethenyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCc1ccc2c(c1)c1c(n2/C=C\c2ccc(F)cc2)CCN(C)C1
InChIInChI=1S/C21H21FN2/c1-15-3-8-20-18(13-15)19-14-23(2)11-10-21(19)24(20)12-9-16-4-6-17(22)7-5-16/h3-9,12-13H,10-11,14H2,1-2H3/b12-9-
InChIKeySLKYZAGABKKIDN-XFXZXTDPSA-N
MW320.41 g/mol
LogP4.70
Rot. Bonds2

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

5-[(Z)-2-(4-fluorophenyl)ethenyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 46224914) has the molecular formula C21H21FN2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 5-[(Z)-2-(4-fluorophenyl)ethenyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-[(Z)-2-(4-fluorophenyl)ethenyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID46224914
Molecular FormulaC21H21FN2
Molecular Weight320.41 g/mol
Exact Mass320.17
IUPAC Name5-[(Z)-2-(4-fluorophenyl)ethenyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCc1ccc2c(c1)c1c(n2/C=C\c2ccc(F)cc2)CCN(C)C1
InChIInChI=1S/C21H21FN2/c1-15-3-8-20-18(13-15)19-14-23(2)11-10-21(19)24(20)12-9-16-4-6-17(22)7-5-16/h3-9,12-13H,10-11,14H2,1-2H3/b12-9-
InChIKeySLKYZAGABKKIDN-XFXZXTDPSA-N
XLogP4.70
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-(4-fluorophenyl)ethenyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 5-[(Z)-2-(4-fluorophenyl)ethenyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 46224914) is 5-[(Z)-2-(4-fluorophenyl)ethenyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 5-[(Z)-2-(4-fluorophenyl)ethenyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 5-[(Z)-2-(4-fluorophenyl)ethenyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole is Cc1ccc2c(c1)c1c(n2/C=C\c2ccc(F)cc2)CCN(C)C1.
What is the InChIKey of 5-[(Z)-2-(4-fluorophenyl)ethenyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is SLKYZAGABKKIDN-XFXZXTDPSA-N. The full InChI is InChI=1S/C21H21FN2/c1-15-3-8-20-18(13-15)19-14-23(2)11-10-21(19)24(20)12-9-16-4-6-17(22)7-5-16/h3-9,12-13H,10-11,14H2,1-2H3/b12-9-.
What are the key properties of 5-[(Z)-2-(4-fluorophenyl)ethenyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
5-[(Z)-2-(4-fluorophenyl)ethenyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 320.41 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-(4-fluorophenyl)ethenyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 46224914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).