8-chloro-5-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride

C18H17Cl2FN2 — CID 45265367

IUPAC8-chloro-5-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride
SMILESCN1CCc2c(c3cc(Cl)ccc3n2-c2ccc(F)cc2)C1.Cl
InChIInChI=1S/C18H16ClFN2.ClH/c1-21-9-8-18-16(11-21)15-10-12(19)2-7-17(15)22(18)14-5-3-13(20)4-6-14;/h2-7,10H,8-9,11H2,1H3;1H
InChIKeyVXRJNPFENOWXAK-UHFFFAOYSA-N
MW351.25 g/mol
LogP4.83
Rot. Bonds1

About 8-chloro-5-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride

8-chloro-5-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride (PubChem CID 45265367) has the molecular formula C18H17Cl2FN2 and a molecular weight of 351.25 g/mol. Its IUPAC name is 8-chloro-5-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride.

Molecular Properties

Compound Name8-chloro-5-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride
PubChem CID45265367
Molecular FormulaC18H17Cl2FN2
Molecular Weight351.25 g/mol
Exact Mass350.08
IUPAC Name8-chloro-5-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride
SMILESCN1CCc2c(c3cc(Cl)ccc3n2-c2ccc(F)cc2)C1.Cl
InChIInChI=1S/C18H16ClFN2.ClH/c1-21-9-8-18-16(11-21)15-10-12(19)2-7-17(15)22(18)14-5-3-13(20)4-6-14;/h2-7,10H,8-9,11H2,1H3;1H
InChIKeyVXRJNPFENOWXAK-UHFFFAOYSA-N
XLogP4.83
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.25
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride?
The IUPAC name of 8-chloro-5-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride (CID 45265367) is 8-chloro-5-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride.
What is the SMILES notation for 8-chloro-5-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride?
The canonical SMILES for 8-chloro-5-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride is CN1CCc2c(c3cc(Cl)ccc3n2-c2ccc(F)cc2)C1.Cl.
What is the InChIKey of 8-chloro-5-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride?
The InChIKey is VXRJNPFENOWXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2.ClH/c1-21-9-8-18-16(11-21)15-10-12(19)2-7-17(15)22(18)14-5-3-13(20)4-6-14;/h2-7,10H,8-9,11H2,1H3;1H.
What are the key properties of 8-chloro-5-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride?
8-chloro-5-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride has a molecular weight of 351.25 g/mol, XLogP of 4.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride is sourced from PubChem (CID 45265367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).