8-fluoro-5-(4-fluorophenyl)-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride

C18H19ClF2N2 — CID 45264452

IUPAC8-fluoro-5-(4-fluorophenyl)-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride
SMILESCN1CCC2C(C1)c1cc(F)ccc1N2c1ccc(F)cc1.Cl
InChIInChI=1S/C18H18F2N2.ClH/c1-21-9-8-18-16(11-21)15-10-13(20)4-7-17(15)22(18)14-5-2-12(19)3-6-14;/h2-7,10,16,18H,8-9,11H2,1H3;1H
InChIKeyGQJPBGNXQQATRW-UHFFFAOYSA-N
MW336.81 g/mol
LogP4.33
Rot. Bonds1

About 8-fluoro-5-(4-fluorophenyl)-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride

8-fluoro-5-(4-fluorophenyl)-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride (PubChem CID 45264452) has the molecular formula C18H19ClF2N2 and a molecular weight of 336.81 g/mol. Its IUPAC name is 8-fluoro-5-(4-fluorophenyl)-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride.

Molecular Properties

Compound Name8-fluoro-5-(4-fluorophenyl)-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride
PubChem CID45264452
Molecular FormulaC18H19ClF2N2
Molecular Weight336.81 g/mol
Exact Mass336.12
IUPAC Name8-fluoro-5-(4-fluorophenyl)-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride
SMILESCN1CCC2C(C1)c1cc(F)ccc1N2c1ccc(F)cc1.Cl
InChIInChI=1S/C18H18F2N2.ClH/c1-21-9-8-18-16(11-21)15-10-13(20)4-7-17(15)22(18)14-5-2-12(19)3-6-14;/h2-7,10,16,18H,8-9,11H2,1H3;1H
InChIKeyGQJPBGNXQQATRW-UHFFFAOYSA-N
XLogP4.33
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.81
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-fluoro-5-(4-fluorophenyl)-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride with MolForge

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Related Compounds

3-(4-Fluorophenyl)-11-methyl-3,11-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
CID 9993922
1-Phenyl-4-(3-phenylbutyl)piperazine hydrochloride
CID 2845779
trans-8-Fluoro-5-(p-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole
CID 13014387
N-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-N-methylaniline
CID 15093876
(2S,7R)-4-[3-(4-fluorophenyl)propyl]-4,8-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),11(15),12-triene
CID 44295528
(4aR,9bR)-8-fluoro-5-(4-fluorophenyl)-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole
CID 44305977
2-Methyl-5-((E)-styryl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 46224878
NOP agonist-1
CID 129188459
(3aS,9bS)-3a-methyl-5-phenyl-2,3,4,9b-tetrahydro-1H-pyrrolo[2,3-c]quinoline
CID 153287553
(3aS,9bS)-3,3a-dimethyl-5-phenyl-1,2,4,9b-tetrahydropyrrolo[2,3-c]quinoline
CID 153287566
1H-Indole, 2,3-dihydro-3,3-dimethyl-2-methylene-1-phenyl-
CID 78895
1-[2-(2-phenylethyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl]propan-1-one
CID 12362471

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-5-(4-fluorophenyl)-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride?
The IUPAC name of 8-fluoro-5-(4-fluorophenyl)-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride (CID 45264452) is 8-fluoro-5-(4-fluorophenyl)-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride.
What is the SMILES notation for 8-fluoro-5-(4-fluorophenyl)-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride?
The canonical SMILES for 8-fluoro-5-(4-fluorophenyl)-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride is CN1CCC2C(C1)c1cc(F)ccc1N2c1ccc(F)cc1.Cl.
What is the InChIKey of 8-fluoro-5-(4-fluorophenyl)-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride?
The InChIKey is GQJPBGNXQQATRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2.ClH/c1-21-9-8-18-16(11-21)15-10-13(20)4-7-17(15)22(18)14-5-2-12(19)3-6-14;/h2-7,10,16,18H,8-9,11H2,1H3;1H.
What are the key properties of 8-fluoro-5-(4-fluorophenyl)-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride?
8-fluoro-5-(4-fluorophenyl)-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride has a molecular weight of 336.81 g/mol, XLogP of 4.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-5-(4-fluorophenyl)-2-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride is sourced from PubChem (CID 45264452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).