8-(4-fluoroazepan-4-yl)-5,6,7,8-tetrahydroquinoline

C15H21FN2 — CID 103984069

IUPAC8-(4-fluoroazepan-4-yl)-5,6,7,8-tetrahydroquinoline
SMILESFC1(C2CCCc3cccnc32)CCCNCC1
InChIInChI=1S/C15H21FN2/c16-15(7-3-9-17-11-8-15)13-6-1-4-12-5-2-10-18-14(12)13/h2,5,10,13,17H,1,3-4,6-9,11H2
InChIKeyXUCLQMCNNHBNBT-UHFFFAOYSA-N
MW248.34 g/mol
LogP2.98
Rot. Bonds1

About 8-(4-fluoroazepan-4-yl)-5,6,7,8-tetrahydroquinoline

8-(4-fluoroazepan-4-yl)-5,6,7,8-tetrahydroquinoline (PubChem CID 103984069) has the molecular formula C15H21FN2 and a molecular weight of 248.34 g/mol. Its IUPAC name is 8-(4-fluoroazepan-4-yl)-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name8-(4-fluoroazepan-4-yl)-5,6,7,8-tetrahydroquinoline
PubChem CID103984069
Molecular FormulaC15H21FN2
Molecular Weight248.34 g/mol
Exact Mass248.17
IUPAC Name8-(4-fluoroazepan-4-yl)-5,6,7,8-tetrahydroquinoline
SMILESFC1(C2CCCc3cccnc32)CCCNCC1
InChIInChI=1S/C15H21FN2/c16-15(7-3-9-17-11-8-15)13-6-1-4-12-5-2-10-18-14(12)13/h2,5,10,13,17H,1,3-4,6-9,11H2
InChIKeyXUCLQMCNNHBNBT-UHFFFAOYSA-N
XLogP2.98
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)azepan-4-ol
CID 103982975
8-(2-propan-2-ylpyrrolidin-2-yl)-5,6,7,8-tetrahydroquinoline
CID 79748728
1-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexan-1-ol
CID 79739365
(8S)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 164583093
(8R)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 162400504
(8S)-5,6,7,8-tetrahydroquinolin-8-ol
CID 11480532
7-(2-methylpyrrolidin-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 79748241
1-(5,6,7,8-tetrahydroquinolin-8-yl)-3,4-dihydro-2H-naphthalen-1-ol
CID 79723609
8-(3-chloro-1-methylcyclopentyl)-5,6,7,8-tetrahydroquinoline
CID 116540409
(8S)-5,6,7,8-tetrahydroquinolin-8-amine
CID 12031071
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937
N-fluoro-5,6,7,8-tetrahydroquinolin-8-amine
CID 145471491

Frequently Asked Questions

What is the IUPAC name of 8-(4-fluoroazepan-4-yl)-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 8-(4-fluoroazepan-4-yl)-5,6,7,8-tetrahydroquinoline (CID 103984069) is 8-(4-fluoroazepan-4-yl)-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 8-(4-fluoroazepan-4-yl)-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 8-(4-fluoroazepan-4-yl)-5,6,7,8-tetrahydroquinoline is FC1(C2CCCc3cccnc32)CCCNCC1.
What is the InChIKey of 8-(4-fluoroazepan-4-yl)-5,6,7,8-tetrahydroquinoline?
The InChIKey is XUCLQMCNNHBNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2/c16-15(7-3-9-17-11-8-15)13-6-1-4-12-5-2-10-18-14(12)13/h2,5,10,13,17H,1,3-4,6-9,11H2.
What are the key properties of 8-(4-fluoroazepan-4-yl)-5,6,7,8-tetrahydroquinoline?
8-(4-fluoroazepan-4-yl)-5,6,7,8-tetrahydroquinoline has a molecular weight of 248.34 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluoroazepan-4-yl)-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 103984069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).