7-[(4-fluorophenyl)methoxy]-3-(2-fluoropropan-2-yl)quinoline

C19H17F2NO — CID 86301333

IUPAC7-[(4-fluorophenyl)methoxy]-3-(2-fluoropropan-2-yl)quinoline
SMILESCC(C)(F)c1cnc2cc(OCc3ccc(F)cc3)ccc2c1
InChIInChI=1S/C19H17F2NO/c1-19(2,21)15-9-14-5-8-17(10-18(14)22-11-15)23-12-13-3-6-16(20)7-4-13/h3-11H,12H2,1-2H3
InChIKeyQOKJIQQYTPFNKH-UHFFFAOYSA-N
MW313.35 g/mol
LogP5.16
Rot. Bonds4

About 7-[(4-fluorophenyl)methoxy]-3-(2-fluoropropan-2-yl)quinoline

7-[(4-fluorophenyl)methoxy]-3-(2-fluoropropan-2-yl)quinoline (PubChem CID 86301333) has the molecular formula C19H17F2NO and a molecular weight of 313.35 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methoxy]-3-(2-fluoropropan-2-yl)quinoline.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methoxy]-3-(2-fluoropropan-2-yl)quinoline
PubChem CID86301333
Molecular FormulaC19H17F2NO
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name7-[(4-fluorophenyl)methoxy]-3-(2-fluoropropan-2-yl)quinoline
SMILESCC(C)(F)c1cnc2cc(OCc3ccc(F)cc3)ccc2c1
InChIInChI=1S/C19H17F2NO/c1-19(2,21)15-9-14-5-8-17(10-18(14)22-11-15)23-12-13-3-6-16(20)7-4-13/h3-11H,12H2,1-2H3
InChIKeyQOKJIQQYTPFNKH-UHFFFAOYSA-N
XLogP5.16
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.35
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methoxy]-3-(2-fluoropropan-2-yl)quinoline?
The IUPAC name of 7-[(4-fluorophenyl)methoxy]-3-(2-fluoropropan-2-yl)quinoline (CID 86301333) is 7-[(4-fluorophenyl)methoxy]-3-(2-fluoropropan-2-yl)quinoline.
What is the SMILES notation for 7-[(4-fluorophenyl)methoxy]-3-(2-fluoropropan-2-yl)quinoline?
The canonical SMILES for 7-[(4-fluorophenyl)methoxy]-3-(2-fluoropropan-2-yl)quinoline is CC(C)(F)c1cnc2cc(OCc3ccc(F)cc3)ccc2c1.
What is the InChIKey of 7-[(4-fluorophenyl)methoxy]-3-(2-fluoropropan-2-yl)quinoline?
The InChIKey is QOKJIQQYTPFNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2NO/c1-19(2,21)15-9-14-5-8-17(10-18(14)22-11-15)23-12-13-3-6-16(20)7-4-13/h3-11H,12H2,1-2H3.
What are the key properties of 7-[(4-fluorophenyl)methoxy]-3-(2-fluoropropan-2-yl)quinoline?
7-[(4-fluorophenyl)methoxy]-3-(2-fluoropropan-2-yl)quinoline has a molecular weight of 313.35 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methoxy]-3-(2-fluoropropan-2-yl)quinoline is sourced from PubChem (CID 86301333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).