7-[(6-fluoroquinolin-8-yl)methoxy]-4-(trifluoromethyl)chromen-2-one

C20H11F4NO3 — CID 38828676

IUPAC7-[(6-fluoroquinolin-8-yl)methoxy]-4-(trifluoromethyl)chromen-2-one
SMILESO=c1cc(C(F)(F)F)c2ccc(OCc3cc(F)cc4cccnc34)cc2o1
InChIInChI=1S/C20H11F4NO3/c21-13-6-11-2-1-5-25-19(11)12(7-13)10-27-14-3-4-15-16(20(22,23)24)9-18(26)28-17(15)8-14/h1-9H,10H2
InChIKeyRONCWAJRUIGXEF-UHFFFAOYSA-N
MW389.30 g/mol
LogP5.08
Rot. Bonds3

About 7-[(6-fluoroquinolin-8-yl)methoxy]-4-(trifluoromethyl)chromen-2-one

7-[(6-fluoroquinolin-8-yl)methoxy]-4-(trifluoromethyl)chromen-2-one (PubChem CID 38828676) has the molecular formula C20H11F4NO3 and a molecular weight of 389.30 g/mol. Its IUPAC name is 7-[(6-fluoroquinolin-8-yl)methoxy]-4-(trifluoromethyl)chromen-2-one.

Molecular Properties

Compound Name7-[(6-fluoroquinolin-8-yl)methoxy]-4-(trifluoromethyl)chromen-2-one
PubChem CID38828676
Molecular FormulaC20H11F4NO3
Molecular Weight389.30 g/mol
Exact Mass389.07
IUPAC Name7-[(6-fluoroquinolin-8-yl)methoxy]-4-(trifluoromethyl)chromen-2-one
SMILESO=c1cc(C(F)(F)F)c2ccc(OCc3cc(F)cc4cccnc34)cc2o1
InChIInChI=1S/C20H11F4NO3/c21-13-6-11-2-1-5-25-19(11)12(7-13)10-27-14-3-4-15-16(20(22,23)24)9-18(26)28-17(15)8-14/h1-9H,10H2
InChIKeyRONCWAJRUIGXEF-UHFFFAOYSA-N
XLogP5.08
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.30
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[(6-fluoroquinolin-8-yl)methoxy]-4-(trifluoromethyl)chromen-2-one?
The IUPAC name of 7-[(6-fluoroquinolin-8-yl)methoxy]-4-(trifluoromethyl)chromen-2-one (CID 38828676) is 7-[(6-fluoroquinolin-8-yl)methoxy]-4-(trifluoromethyl)chromen-2-one.
What is the SMILES notation for 7-[(6-fluoroquinolin-8-yl)methoxy]-4-(trifluoromethyl)chromen-2-one?
The canonical SMILES for 7-[(6-fluoroquinolin-8-yl)methoxy]-4-(trifluoromethyl)chromen-2-one is O=c1cc(C(F)(F)F)c2ccc(OCc3cc(F)cc4cccnc34)cc2o1.
What is the InChIKey of 7-[(6-fluoroquinolin-8-yl)methoxy]-4-(trifluoromethyl)chromen-2-one?
The InChIKey is RONCWAJRUIGXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F4NO3/c21-13-6-11-2-1-5-25-19(11)12(7-13)10-27-14-3-4-15-16(20(22,23)24)9-18(26)28-17(15)8-14/h1-9H,10H2.
What are the key properties of 7-[(6-fluoroquinolin-8-yl)methoxy]-4-(trifluoromethyl)chromen-2-one?
7-[(6-fluoroquinolin-8-yl)methoxy]-4-(trifluoromethyl)chromen-2-one has a molecular weight of 389.30 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(6-fluoroquinolin-8-yl)methoxy]-4-(trifluoromethyl)chromen-2-one is sourced from PubChem (CID 38828676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).