7-(5-fluoro-2-methoxyphenyl)-1,2,3,4-tetrahydroquinoline

C16H16FNO — CID 81224324

IUPAC7-(5-fluoro-2-methoxyphenyl)-1,2,3,4-tetrahydroquinoline
SMILESCOc1ccc(F)cc1-c1ccc2c(c1)NCCC2
InChIInChI=1S/C16H16FNO/c1-19-16-7-6-13(17)10-14(16)12-5-4-11-3-2-8-18-15(11)9-12/h4-7,9-10,18H,2-3,8H2,1H3
InChIKeyUNCLMFABOFKQMD-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.86
Rot. Bonds2

About 7-(5-fluoro-2-methoxyphenyl)-1,2,3,4-tetrahydroquinoline

7-(5-fluoro-2-methoxyphenyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 81224324) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 7-(5-fluoro-2-methoxyphenyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name7-(5-fluoro-2-methoxyphenyl)-1,2,3,4-tetrahydroquinoline
PubChem CID81224324
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name7-(5-fluoro-2-methoxyphenyl)-1,2,3,4-tetrahydroquinoline
SMILESCOc1ccc(F)cc1-c1ccc2c(c1)NCCC2
InChIInChI=1S/C16H16FNO/c1-19-16-7-6-13(17)10-14(16)12-5-4-11-3-2-8-18-15(11)9-12/h4-7,9-10,18H,2-3,8H2,1H3
InChIKeyUNCLMFABOFKQMD-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(5-fluoro-2-methoxyphenyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 7-(5-fluoro-2-methoxyphenyl)-1,2,3,4-tetrahydroquinoline (CID 81224324) is 7-(5-fluoro-2-methoxyphenyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 7-(5-fluoro-2-methoxyphenyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 7-(5-fluoro-2-methoxyphenyl)-1,2,3,4-tetrahydroquinoline is COc1ccc(F)cc1-c1ccc2c(c1)NCCC2.
What is the InChIKey of 7-(5-fluoro-2-methoxyphenyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is UNCLMFABOFKQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c1-19-16-7-6-13(17)10-14(16)12-5-4-11-3-2-8-18-15(11)9-12/h4-7,9-10,18H,2-3,8H2,1H3.
What are the key properties of 7-(5-fluoro-2-methoxyphenyl)-1,2,3,4-tetrahydroquinoline?
7-(5-fluoro-2-methoxyphenyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 257.31 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-fluoro-2-methoxyphenyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 81224324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).