3-(4-fluorophenyl)-9-methyl-5,6,7,8-tetrahydropyrido[3,4-b]indole

C18H17FN2 — CID 102281816

IUPAC3-(4-fluorophenyl)-9-methyl-5,6,7,8-tetrahydropyrido[3,4-b]indole
SMILESCn1c2c(c3cc(-c4ccc(F)cc4)ncc31)CCCC2
InChIInChI=1S/C18H17FN2/c1-21-17-5-3-2-4-14(17)15-10-16(20-11-18(15)21)12-6-8-13(19)9-7-12/h6-11H,2-5H2,1H3
InChIKeyNMDUVCBLZXNQLU-UHFFFAOYSA-N
MW280.35 g/mol
LogP4.26
Rot. Bonds1

About 3-(4-fluorophenyl)-9-methyl-5,6,7,8-tetrahydropyrido[3,4-b]indole

3-(4-fluorophenyl)-9-methyl-5,6,7,8-tetrahydropyrido[3,4-b]indole (PubChem CID 102281816) has the molecular formula C18H17FN2 and a molecular weight of 280.35 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-9-methyl-5,6,7,8-tetrahydropyrido[3,4-b]indole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-9-methyl-5,6,7,8-tetrahydropyrido[3,4-b]indole
PubChem CID102281816
Molecular FormulaC18H17FN2
Molecular Weight280.35 g/mol
Exact Mass280.14
IUPAC Name3-(4-fluorophenyl)-9-methyl-5,6,7,8-tetrahydropyrido[3,4-b]indole
SMILESCn1c2c(c3cc(-c4ccc(F)cc4)ncc31)CCCC2
InChIInChI=1S/C18H17FN2/c1-21-17-5-3-2-4-14(17)15-10-16(20-11-18(15)21)12-6-8-13(19)9-7-12/h6-11H,2-5H2,1H3
InChIKeyNMDUVCBLZXNQLU-UHFFFAOYSA-N
XLogP4.26
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-9-methyl-5,6,7,8-tetrahydropyrido[3,4-b]indole?
The IUPAC name of 3-(4-fluorophenyl)-9-methyl-5,6,7,8-tetrahydropyrido[3,4-b]indole (CID 102281816) is 3-(4-fluorophenyl)-9-methyl-5,6,7,8-tetrahydropyrido[3,4-b]indole.
What is the SMILES notation for 3-(4-fluorophenyl)-9-methyl-5,6,7,8-tetrahydropyrido[3,4-b]indole?
The canonical SMILES for 3-(4-fluorophenyl)-9-methyl-5,6,7,8-tetrahydropyrido[3,4-b]indole is Cn1c2c(c3cc(-c4ccc(F)cc4)ncc31)CCCC2.
What is the InChIKey of 3-(4-fluorophenyl)-9-methyl-5,6,7,8-tetrahydropyrido[3,4-b]indole?
The InChIKey is NMDUVCBLZXNQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2/c1-21-17-5-3-2-4-14(17)15-10-16(20-11-18(15)21)12-6-8-13(19)9-7-12/h6-11H,2-5H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-9-methyl-5,6,7,8-tetrahydropyrido[3,4-b]indole?
3-(4-fluorophenyl)-9-methyl-5,6,7,8-tetrahydropyrido[3,4-b]indole has a molecular weight of 280.35 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-9-methyl-5,6,7,8-tetrahydropyrido[3,4-b]indole is sourced from PubChem (CID 102281816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).