2-[(3-fluoro-2-pyridinyl)methoxy]-5,6,7,8-tetrahydroquinoline

C15H15FN2O — CID 141400147

IUPAC2-[(3-fluoro-2-pyridinyl)methoxy]-5,6,7,8-tetrahydroquinoline
SMILESFc1cccnc1COc1ccc2c(n1)CCCC2
InChIInChI=1S/C15H15FN2O/c16-12-5-3-9-17-14(12)10-19-15-8-7-11-4-1-2-6-13(11)18-15/h3,5,7-9H,1-2,4,6,10H2
InChIKeyVQYIUCWDXGAFTN-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.07
Rot. Bonds3

About 2-[(3-fluoro-2-pyridinyl)methoxy]-5,6,7,8-tetrahydroquinoline

2-[(3-fluoro-2-pyridinyl)methoxy]-5,6,7,8-tetrahydroquinoline (PubChem CID 141400147) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-[(3-fluoro-2-pyridinyl)methoxy]-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name2-[(3-fluoro-2-pyridinyl)methoxy]-5,6,7,8-tetrahydroquinoline
PubChem CID141400147
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name2-[(3-fluoro-2-pyridinyl)methoxy]-5,6,7,8-tetrahydroquinoline
SMILESFc1cccnc1COc1ccc2c(n1)CCCC2
InChIInChI=1S/C15H15FN2O/c16-12-5-3-9-17-14(12)10-19-15-8-7-11-4-1-2-6-13(11)18-15/h3,5,7-9H,1-2,4,6,10H2
InChIKeyVQYIUCWDXGAFTN-UHFFFAOYSA-N
XLogP3.07
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-2-pyridinyl)methoxy]-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 2-[(3-fluoro-2-pyridinyl)methoxy]-5,6,7,8-tetrahydroquinoline (CID 141400147) is 2-[(3-fluoro-2-pyridinyl)methoxy]-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 2-[(3-fluoro-2-pyridinyl)methoxy]-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 2-[(3-fluoro-2-pyridinyl)methoxy]-5,6,7,8-tetrahydroquinoline is Fc1cccnc1COc1ccc2c(n1)CCCC2.
What is the InChIKey of 2-[(3-fluoro-2-pyridinyl)methoxy]-5,6,7,8-tetrahydroquinoline?
The InChIKey is VQYIUCWDXGAFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c16-12-5-3-9-17-14(12)10-19-15-8-7-11-4-1-2-6-13(11)18-15/h3,5,7-9H,1-2,4,6,10H2.
What are the key properties of 2-[(3-fluoro-2-pyridinyl)methoxy]-5,6,7,8-tetrahydroquinoline?
2-[(3-fluoro-2-pyridinyl)methoxy]-5,6,7,8-tetrahydroquinoline has a molecular weight of 258.30 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-2-pyridinyl)methoxy]-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 141400147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).