1-(4-fluorophenyl)-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride

C18H18ClFN2 — CID 90484169

IUPAC1-(4-fluorophenyl)-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
SMILESCc1ccc2[nH]c3c(c2c1)CCNC3c1ccc(F)cc1.Cl
InChIInChI=1S/C18H17FN2.ClH/c1-11-2-7-16-15(10-11)14-8-9-20-17(18(14)21-16)12-3-5-13(19)6-4-12;/h2-7,10,17,20-21H,8-9H2,1H3;1H
InChIKeyOFCDEWUVGUKJJS-UHFFFAOYSA-N
MW316.81 g/mol
LogP4.27
Rot. Bonds1

About 1-(4-fluorophenyl)-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride

1-(4-fluorophenyl)-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride (PubChem CID 90484169) has the molecular formula C18H18ClFN2 and a molecular weight of 316.81 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
PubChem CID90484169
Molecular FormulaC18H18ClFN2
Molecular Weight316.81 g/mol
Exact Mass316.11
IUPAC Name1-(4-fluorophenyl)-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
SMILESCc1ccc2[nH]c3c(c2c1)CCNC3c1ccc(F)cc1.Cl
InChIInChI=1S/C18H17FN2.ClH/c1-11-2-7-16-15(10-11)14-8-9-20-17(18(14)21-16)12-3-5-13(19)6-4-12;/h2-7,10,17,20-21H,8-9H2,1H3;1H
InChIKeyOFCDEWUVGUKJJS-UHFFFAOYSA-N
XLogP4.27
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride?
The IUPAC name of 1-(4-fluorophenyl)-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride (CID 90484169) is 1-(4-fluorophenyl)-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride.
What is the SMILES notation for 1-(4-fluorophenyl)-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride?
The canonical SMILES for 1-(4-fluorophenyl)-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride is Cc1ccc2[nH]c3c(c2c1)CCNC3c1ccc(F)cc1.Cl.
What is the InChIKey of 1-(4-fluorophenyl)-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride?
The InChIKey is OFCDEWUVGUKJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2.ClH/c1-11-2-7-16-15(10-11)14-8-9-20-17(18(14)21-16)12-3-5-13(19)6-4-12;/h2-7,10,17,20-21H,8-9H2,1H3;1H.
What are the key properties of 1-(4-fluorophenyl)-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride?
1-(4-fluorophenyl)-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride has a molecular weight of 316.81 g/mol, XLogP of 4.27, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride is sourced from PubChem (CID 90484169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).