4-(2-fluoro-4-pyrimidin-5-ylphenoxy)-6,7-dimethoxyquinoline

C21H16FN3O3 — CID 141201268

IUPAC4-(2-fluoro-4-pyrimidin-5-ylphenoxy)-6,7-dimethoxyquinoline
SMILESCOc1cc2nccc(Oc3ccc(-c4cncnc4)cc3F)c2cc1OC
InChIInChI=1S/C21H16FN3O3/c1-26-20-8-15-17(9-21(20)27-2)25-6-5-18(15)28-19-4-3-13(7-16(19)22)14-10-23-12-24-11-14/h3-12H,1-2H3
InChIKeyFXZVDEVGJXONHD-UHFFFAOYSA-N
MW377.38 g/mol
LogP4.64
Rot. Bonds5

About 4-(2-fluoro-4-pyrimidin-5-ylphenoxy)-6,7-dimethoxyquinoline

4-(2-fluoro-4-pyrimidin-5-ylphenoxy)-6,7-dimethoxyquinoline (PubChem CID 141201268) has the molecular formula C21H16FN3O3 and a molecular weight of 377.38 g/mol. Its IUPAC name is 4-(2-fluoro-4-pyrimidin-5-ylphenoxy)-6,7-dimethoxyquinoline.

Molecular Properties

Compound Name4-(2-fluoro-4-pyrimidin-5-ylphenoxy)-6,7-dimethoxyquinoline
PubChem CID141201268
Molecular FormulaC21H16FN3O3
Molecular Weight377.38 g/mol
Exact Mass377.12
IUPAC Name4-(2-fluoro-4-pyrimidin-5-ylphenoxy)-6,7-dimethoxyquinoline
SMILESCOc1cc2nccc(Oc3ccc(-c4cncnc4)cc3F)c2cc1OC
InChIInChI=1S/C21H16FN3O3/c1-26-20-8-15-17(9-21(20)27-2)25-6-5-18(15)28-19-4-3-13(7-16(19)22)14-10-23-12-24-11-14/h3-12H,1-2H3
InChIKeyFXZVDEVGJXONHD-UHFFFAOYSA-N
XLogP4.64
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-3-fluoroaniline
CID 67457884
5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-[(4-methylphenyl)methyl]pyrimidin-4-one
CID 58170215
methane;4,6,7-trimethoxyquinoline
CID 157066291
5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-methyl-2-(N-methylanilino)pyrimidin-4-one
CID 11858193
4-(4-amino-2-fluorophenoxy)-7-methoxyquinolin-6-ol
CID 67522286
5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-one
CID 24864876
5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-methyl-2-[(1R)-1-phenylethyl]pyrimidin-4-one
CID 11857352
[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]sulfinylmethanimine
CID 166561964
5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2-(3-fluoroanilino)-3-methylpyrimidin-4-one
CID 11858025
4-(2-fluoro-4-nitrosophenoxy)-7-methoxy-6-phenylmethoxyquinoline
CID 89208447
ethane;4-(2-fluoro-4-nitrophenoxy)-6-methoxy-7-methylquinoline
CID 143647632
azane;4-(2-fluorophenoxy)-6-methoxy-7-phenylmethoxyquinoline
CID 67265211

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-pyrimidin-5-ylphenoxy)-6,7-dimethoxyquinoline?
The IUPAC name of 4-(2-fluoro-4-pyrimidin-5-ylphenoxy)-6,7-dimethoxyquinoline (CID 141201268) is 4-(2-fluoro-4-pyrimidin-5-ylphenoxy)-6,7-dimethoxyquinoline.
What is the SMILES notation for 4-(2-fluoro-4-pyrimidin-5-ylphenoxy)-6,7-dimethoxyquinoline?
The canonical SMILES for 4-(2-fluoro-4-pyrimidin-5-ylphenoxy)-6,7-dimethoxyquinoline is COc1cc2nccc(Oc3ccc(-c4cncnc4)cc3F)c2cc1OC.
What is the InChIKey of 4-(2-fluoro-4-pyrimidin-5-ylphenoxy)-6,7-dimethoxyquinoline?
The InChIKey is FXZVDEVGJXONHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O3/c1-26-20-8-15-17(9-21(20)27-2)25-6-5-18(15)28-19-4-3-13(7-16(19)22)14-10-23-12-24-11-14/h3-12H,1-2H3.
What are the key properties of 4-(2-fluoro-4-pyrimidin-5-ylphenoxy)-6,7-dimethoxyquinoline?
4-(2-fluoro-4-pyrimidin-5-ylphenoxy)-6,7-dimethoxyquinoline has a molecular weight of 377.38 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-pyrimidin-5-ylphenoxy)-6,7-dimethoxyquinoline is sourced from PubChem (CID 141201268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).