3-[(4-fluorophenyl)methoxy]-7-(2-fluoropropan-2-yl)-1,5-naphthyridine

C18H16F2N2O — CID 86301815

IUPAC3-[(4-fluorophenyl)methoxy]-7-(2-fluoropropan-2-yl)-1,5-naphthyridine
SMILESCC(C)(F)c1cnc2cc(OCc3ccc(F)cc3)cnc2c1
InChIInChI=1S/C18H16F2N2O/c1-18(2,20)13-7-16-17(21-9-13)8-15(10-22-16)23-11-12-3-5-14(19)6-4-12/h3-10H,11H2,1-2H3
InChIKeyCAPHTKMPODBRJP-UHFFFAOYSA-N
MW314.34 g/mol
LogP4.55
Rot. Bonds4

About 3-[(4-fluorophenyl)methoxy]-7-(2-fluoropropan-2-yl)-1,5-naphthyridine

3-[(4-fluorophenyl)methoxy]-7-(2-fluoropropan-2-yl)-1,5-naphthyridine (PubChem CID 86301815) has the molecular formula C18H16F2N2O and a molecular weight of 314.34 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methoxy]-7-(2-fluoropropan-2-yl)-1,5-naphthyridine.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methoxy]-7-(2-fluoropropan-2-yl)-1,5-naphthyridine
PubChem CID86301815
Molecular FormulaC18H16F2N2O
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Name3-[(4-fluorophenyl)methoxy]-7-(2-fluoropropan-2-yl)-1,5-naphthyridine
SMILESCC(C)(F)c1cnc2cc(OCc3ccc(F)cc3)cnc2c1
InChIInChI=1S/C18H16F2N2O/c1-18(2,20)13-7-16-17(21-9-13)8-15(10-22-16)23-11-12-3-5-14(19)6-4-12/h3-10H,11H2,1-2H3
InChIKeyCAPHTKMPODBRJP-UHFFFAOYSA-N
XLogP4.55
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methoxy]-7-(2-fluoropropan-2-yl)-1,5-naphthyridine?
The IUPAC name of 3-[(4-fluorophenyl)methoxy]-7-(2-fluoropropan-2-yl)-1,5-naphthyridine (CID 86301815) is 3-[(4-fluorophenyl)methoxy]-7-(2-fluoropropan-2-yl)-1,5-naphthyridine.
What is the SMILES notation for 3-[(4-fluorophenyl)methoxy]-7-(2-fluoropropan-2-yl)-1,5-naphthyridine?
The canonical SMILES for 3-[(4-fluorophenyl)methoxy]-7-(2-fluoropropan-2-yl)-1,5-naphthyridine is CC(C)(F)c1cnc2cc(OCc3ccc(F)cc3)cnc2c1.
What is the InChIKey of 3-[(4-fluorophenyl)methoxy]-7-(2-fluoropropan-2-yl)-1,5-naphthyridine?
The InChIKey is CAPHTKMPODBRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O/c1-18(2,20)13-7-16-17(21-9-13)8-15(10-22-16)23-11-12-3-5-14(19)6-4-12/h3-10H,11H2,1-2H3.
What are the key properties of 3-[(4-fluorophenyl)methoxy]-7-(2-fluoropropan-2-yl)-1,5-naphthyridine?
3-[(4-fluorophenyl)methoxy]-7-(2-fluoropropan-2-yl)-1,5-naphthyridine has a molecular weight of 314.34 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methoxy]-7-(2-fluoropropan-2-yl)-1,5-naphthyridine is sourced from PubChem (CID 86301815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).