4-(7-fluorocyclohepta-1,4,6-trien-1-yl)oxy-6,7-dimethoxyquinoline

C18H16FNO3 — CID 134566459

IUPAC4-(7-fluorocyclohepta-1,4,6-trien-1-yl)oxy-6,7-dimethoxyquinoline
SMILESCOc1cc2nccc(OC3=CCC=CC=C3F)c2cc1OC
InChIInChI=1S/C18H16FNO3/c1-21-17-10-12-14(11-18(17)22-2)20-9-8-15(12)23-16-7-5-3-4-6-13(16)19/h3-4,6-11H,5H2,1-2H3
InChIKeyLVCWFOGYOBEMSQ-UHFFFAOYSA-N
MW313.33 g/mol
LogP4.33
Rot. Bonds4

About 4-(7-fluorocyclohepta-1,4,6-trien-1-yl)oxy-6,7-dimethoxyquinoline

4-(7-fluorocyclohepta-1,4,6-trien-1-yl)oxy-6,7-dimethoxyquinoline (PubChem CID 134566459) has the molecular formula C18H16FNO3 and a molecular weight of 313.33 g/mol. Its IUPAC name is 4-(7-fluorocyclohepta-1,4,6-trien-1-yl)oxy-6,7-dimethoxyquinoline.

Molecular Properties

Compound Name4-(7-fluorocyclohepta-1,4,6-trien-1-yl)oxy-6,7-dimethoxyquinoline
PubChem CID134566459
Molecular FormulaC18H16FNO3
Molecular Weight313.33 g/mol
Exact Mass313.11
IUPAC Name4-(7-fluorocyclohepta-1,4,6-trien-1-yl)oxy-6,7-dimethoxyquinoline
SMILESCOc1cc2nccc(OC3=CCC=CC=C3F)c2cc1OC
InChIInChI=1S/C18H16FNO3/c1-21-17-10-12-14(11-18(17)22-2)20-9-8-15(12)23-16-7-5-3-4-6-13(16)19/h3-4,6-11H,5H2,1-2H3
InChIKeyLVCWFOGYOBEMSQ-UHFFFAOYSA-N
XLogP4.33
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(7-fluorocyclohepta-1,4,6-trien-1-yl)oxy-6,7-dimethoxyquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methane;4,6,7-trimethoxyquinoline
CID 157066291
4-(2-fluoro-4-pyrimidin-5-ylphenoxy)-6,7-dimethoxyquinoline
CID 141201268
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride
CID 118991674
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;methanethiol
CID 165143775
4-(4-cyclopropylphenoxy)-6,7-dimethoxyquinoline
CID 160640233
1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoro-1-methylcyclohexa-2,4-dien-1-yl]-3-(2-phenylacetyl)imidazolidin-2-one
CID 143025919
4-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-3-fluoroaniline
CID 67457884
2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methylaniline
CID 23078587
[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]phosphane
CID 155331458
4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid
CID 22132796
4-[(4-chloro-2H-indol-5-yl)oxy]-6,7-dimethoxyquinoline
CID 142864699
[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]methanesulfonamide
CID 157237576

Frequently Asked Questions

What is the IUPAC name of 4-(7-fluorocyclohepta-1,4,6-trien-1-yl)oxy-6,7-dimethoxyquinoline?
The IUPAC name of 4-(7-fluorocyclohepta-1,4,6-trien-1-yl)oxy-6,7-dimethoxyquinoline (CID 134566459) is 4-(7-fluorocyclohepta-1,4,6-trien-1-yl)oxy-6,7-dimethoxyquinoline.
What is the SMILES notation for 4-(7-fluorocyclohepta-1,4,6-trien-1-yl)oxy-6,7-dimethoxyquinoline?
The canonical SMILES for 4-(7-fluorocyclohepta-1,4,6-trien-1-yl)oxy-6,7-dimethoxyquinoline is COc1cc2nccc(OC3=CCC=CC=C3F)c2cc1OC.
What is the InChIKey of 4-(7-fluorocyclohepta-1,4,6-trien-1-yl)oxy-6,7-dimethoxyquinoline?
The InChIKey is LVCWFOGYOBEMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO3/c1-21-17-10-12-14(11-18(17)22-2)20-9-8-15(12)23-16-7-5-3-4-6-13(16)19/h3-4,6-11H,5H2,1-2H3.
What are the key properties of 4-(7-fluorocyclohepta-1,4,6-trien-1-yl)oxy-6,7-dimethoxyquinoline?
4-(7-fluorocyclohepta-1,4,6-trien-1-yl)oxy-6,7-dimethoxyquinoline has a molecular weight of 313.33 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-fluorocyclohepta-1,4,6-trien-1-yl)oxy-6,7-dimethoxyquinoline is sourced from PubChem (CID 134566459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).