8-fluoro-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole

C21H21FN2O — CID 46224944

IUPAC8-fluoro-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCOc1ccc(/C=C\n2c3c(c4cc(F)ccc42)CN(C)CC3)cc1
InChIInChI=1S/C21H21FN2O/c1-23-11-10-21-19(14-23)18-13-16(22)5-8-20(18)24(21)12-9-15-3-6-17(25-2)7-4-15/h3-9,12-13H,10-11,14H2,1-2H3/b12-9-
InChIKeyKUBYGLRWOGNROT-XFXZXTDPSA-N
MW336.41 g/mol
LogP4.40
Rot. Bonds3

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

8-fluoro-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 46224944) has the molecular formula C21H21FN2O and a molecular weight of 336.41 g/mol. Its IUPAC name is 8-fluoro-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name8-fluoro-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID46224944
Molecular FormulaC21H21FN2O
Molecular Weight336.41 g/mol
Exact Mass336.16
IUPAC Name8-fluoro-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCOc1ccc(/C=C\n2c3c(c4cc(F)ccc42)CN(C)CC3)cc1
InChIInChI=1S/C21H21FN2O/c1-23-11-10-21-19(14-23)18-13-16(22)5-8-20(18)24(21)12-9-15-3-6-17(25-2)7-4-15/h3-9,12-13H,10-11,14H2,1-2H3/b12-9-
InChIKeyKUBYGLRWOGNROT-XFXZXTDPSA-N
XLogP4.40
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-fluoro-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole with MolForge

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Related Compounds

Benanserin Hydrochloride
CID 10670
1-(4-methoxyphenyl)-1H-indole
CID 775715
SK&F 96079
CID 196776
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CID 44287445
2-{4-[3-Fluoro-2-(2-Methoxyphenyl)-1h-Indol-5-Yl] Piperidin-1-Yl}-N-Methylethanamine
CID 46867603
4-[1-(4-Methoxyphenyl)ethenyl]-2-methylquinoline
CID 91971313
1,6-Bis(4-propan-2-yloxyphenyl)indole
CID 134179284
N-butylharmine
CID 486624
1-Ethyl-5-methoxy-2-(4-methoxyphenyl)-3-methylindole
CID 626468
3-methoxy-9-methyl-9H-carbazole
CID 2059429
[2-(1-Benzyl-5-methoxy-1H-indol-3-yl)-ethyl]-dimethyl-amine
CID 3028929
[2-(5-Methoxy-1-methyl-1H-indol-3-yl)-ethyl]-dimethyl-amine
CID 44263956

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 8-fluoro-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 46224944) is 8-fluoro-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 8-fluoro-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 8-fluoro-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole is COc1ccc(/C=C\n2c3c(c4cc(F)ccc42)CN(C)CC3)cc1.
What is the InChIKey of 8-fluoro-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is KUBYGLRWOGNROT-XFXZXTDPSA-N. The full InChI is InChI=1S/C21H21FN2O/c1-23-11-10-21-19(14-23)18-13-16(22)5-8-20(18)24(21)12-9-15-3-6-17(25-2)7-4-15/h3-9,12-13H,10-11,14H2,1-2H3/b12-9-.
What are the key properties of 8-fluoro-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
8-fluoro-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 336.41 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 46224944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).