4-(6-fluorocyclohexa-1,3-dien-1-yl)oxy-7-methoxyquinoline

C16H14FNO2 — CID 163695757

IUPAC4-(6-fluorocyclohexa-1,3-dien-1-yl)oxy-7-methoxyquinoline
SMILESCOc1ccc2c(OC3=CC=CCC3F)ccnc2c1
InChIInChI=1S/C16H14FNO2/c1-19-11-6-7-12-14(10-11)18-9-8-15(12)20-16-5-3-2-4-13(16)17/h2-3,5-10,13H,4H2,1H3
InChIKeyJWUOWHPECIQGRZ-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.80
Rot. Bonds3

About 4-(6-fluorocyclohexa-1,3-dien-1-yl)oxy-7-methoxyquinoline

4-(6-fluorocyclohexa-1,3-dien-1-yl)oxy-7-methoxyquinoline (PubChem CID 163695757) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is 4-(6-fluorocyclohexa-1,3-dien-1-yl)oxy-7-methoxyquinoline.

Molecular Properties

Compound Name4-(6-fluorocyclohexa-1,3-dien-1-yl)oxy-7-methoxyquinoline
PubChem CID163695757
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name4-(6-fluorocyclohexa-1,3-dien-1-yl)oxy-7-methoxyquinoline
SMILESCOc1ccc2c(OC3=CC=CCC3F)ccnc2c1
InChIInChI=1S/C16H14FNO2/c1-19-11-6-7-12-14(10-11)18-9-8-15(12)20-16-5-3-2-4-13(16)17/h2-3,5-10,13H,4H2,1H3
InChIKeyJWUOWHPECIQGRZ-UHFFFAOYSA-N
XLogP3.80
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,7-dimethoxyquinoline
CID 20743716
7-methoxy-4-pyridin-3-yloxyquinoline
CID 154308048
3-chloro-4-(7-methoxyquinolin-4-yl)oxyaniline
CID 90017152
7-methoxy-4-[(2-methyl-1-benzofuran-6-yl)oxy]quinoline
CID 59730748
2-[4-(7-methoxyquinolin-4-yl)oxyphenyl]acetic acid
CID 18456647
N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]formamide
CID 88583302
[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-imino-methyl-oxo-λ6-sulfane
CID 166561904
1-(4-methoxyphenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfanylethanamine
CID 168886794
4-(7-fluorocyclohepta-1,4,6-trien-1-yl)oxy-6,7-dimethoxyquinoline
CID 134566459
1-(4-methoxyphenyl)ethanamine;4-(7-methoxyquinolin-4-yl)oxybenzenethiol
CID 168886716
1-amino-2-methylpropan-2-ol;4-(7-methoxyquinolin-4-yl)oxybenzenethiol
CID 168886754
4-(4-cyclopropylphenoxy)-6,7-dimethoxyquinoline
CID 160640233

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluorocyclohexa-1,3-dien-1-yl)oxy-7-methoxyquinoline?
The IUPAC name of 4-(6-fluorocyclohexa-1,3-dien-1-yl)oxy-7-methoxyquinoline (CID 163695757) is 4-(6-fluorocyclohexa-1,3-dien-1-yl)oxy-7-methoxyquinoline.
What is the SMILES notation for 4-(6-fluorocyclohexa-1,3-dien-1-yl)oxy-7-methoxyquinoline?
The canonical SMILES for 4-(6-fluorocyclohexa-1,3-dien-1-yl)oxy-7-methoxyquinoline is COc1ccc2c(OC3=CC=CCC3F)ccnc2c1.
What is the InChIKey of 4-(6-fluorocyclohexa-1,3-dien-1-yl)oxy-7-methoxyquinoline?
The InChIKey is JWUOWHPECIQGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c1-19-11-6-7-12-14(10-11)18-9-8-15(12)20-16-5-3-2-4-13(16)17/h2-3,5-10,13H,4H2,1H3.
What are the key properties of 4-(6-fluorocyclohexa-1,3-dien-1-yl)oxy-7-methoxyquinoline?
4-(6-fluorocyclohexa-1,3-dien-1-yl)oxy-7-methoxyquinoline has a molecular weight of 271.29 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluorocyclohexa-1,3-dien-1-yl)oxy-7-methoxyquinoline is sourced from PubChem (CID 163695757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).