6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoronaphthalene-1-carboxylic acid;5-fluoro-6-hydroxynaphthalene-1-carboxylic acid

C33H23F2NO8 — CID 159970212

IUPAC6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoronaphthalene-1-carboxylic acid;5-fluoro-6-hydroxynaphthalene-1-carboxylic acid
SMILESCOc1cc2nccc(Oc3ccc4c(C(=O)O)cccc4c3F)c2cc1OC.O=C(O)c1cccc2c(F)c(O)ccc12
InChIInChI=1S/C22H16FNO5.C11H7FO3/c1-27-19-10-15-16(11-20(19)28-2)24-9-8-17(15)29-18-7-6-12-13(21(18)23)4-3-5-14(12)22(25)26;12-10-7-2-1-3-8(11(14)15)6(7)4-5-9(10)13/h3-11H,1-2H3,(H,25,26);1-5,13H,(H,14,15)
InChIKeyOELHJCSBWIIEKP-UHFFFAOYSA-N
MW599.54 g/mol
LogP7.42
Rot. Bonds6

About 6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoronaphthalene-1-carboxylic acid;5-fluoro-6-hydroxynaphthalene-1-carboxylic acid

6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoronaphthalene-1-carboxylic acid;5-fluoro-6-hydroxynaphthalene-1-carboxylic acid (PubChem CID 159970212) has the molecular formula C33H23F2NO8 and a molecular weight of 599.54 g/mol. Its IUPAC name is 6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoronaphthalene-1-carboxylic acid;5-fluoro-6-hydroxynaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoronaphthalene-1-carboxylic acid;5-fluoro-6-hydroxynaphthalene-1-carboxylic acid
PubChem CID159970212
Molecular FormulaC33H23F2NO8
Molecular Weight599.54 g/mol
Exact Mass599.14
IUPAC Name6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoronaphthalene-1-carboxylic acid;5-fluoro-6-hydroxynaphthalene-1-carboxylic acid
SMILESCOc1cc2nccc(Oc3ccc4c(C(=O)O)cccc4c3F)c2cc1OC.O=C(O)c1cccc2c(F)c(O)ccc12
InChIInChI=1S/C22H16FNO5.C11H7FO3/c1-27-19-10-15-16(11-20(19)28-2)24-9-8-17(15)29-18-7-6-12-13(21(18)23)4-3-5-14(12)22(25)26;12-10-7-2-1-3-8(11(14)15)6(7)4-5-9(10)13/h3-11H,1-2H3,(H,25,26);1-5,13H,(H,14,15)
InChIKeyOELHJCSBWIIEKP-UHFFFAOYSA-N
XLogP7.42
TPSA135.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.54
LogP ≤ 57.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoronaphthalene-1-carboxylic acid;5-fluoro-6-hydroxynaphthalene-1-carboxylic acid with MolForge

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Related Compounds

Lucitanib
CID 25031915
N-cyclopropyl-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide
CID 11441375
N-(4-chlorophenyl)-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide
CID 24757938
2-benzyl-5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-3-methylpyrimidin-4(3H)-one
CID 11857432
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 11156617
N-(4-tert-butylphenyl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
CID 11329617
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(2-methoxyethyl)naphthalene-1-carboxamide
CID 11362483
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
CID 11421509
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-[4-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 11466492
6-[(6,7-dimethoxy-4-quinolinyl)oxy]-1-Naphthalenecarboxamide
CID 11474276
6-[(6,7-Dimethoxy-4-quinolinyl)oxy]-N-ethyl-1-naphthalenecarboxamide
CID 11486459
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-phenylnaphthalene-1-carboxamide
CID 11487747

Frequently Asked Questions

What is the IUPAC name of 6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoronaphthalene-1-carboxylic acid;5-fluoro-6-hydroxynaphthalene-1-carboxylic acid?
The IUPAC name of 6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoronaphthalene-1-carboxylic acid;5-fluoro-6-hydroxynaphthalene-1-carboxylic acid (CID 159970212) is 6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoronaphthalene-1-carboxylic acid;5-fluoro-6-hydroxynaphthalene-1-carboxylic acid.
What is the SMILES notation for 6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoronaphthalene-1-carboxylic acid;5-fluoro-6-hydroxynaphthalene-1-carboxylic acid?
The canonical SMILES for 6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoronaphthalene-1-carboxylic acid;5-fluoro-6-hydroxynaphthalene-1-carboxylic acid is COc1cc2nccc(Oc3ccc4c(C(=O)O)cccc4c3F)c2cc1OC.O=C(O)c1cccc2c(F)c(O)ccc12.
What is the InChIKey of 6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoronaphthalene-1-carboxylic acid;5-fluoro-6-hydroxynaphthalene-1-carboxylic acid?
The InChIKey is OELHJCSBWIIEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FNO5.C11H7FO3/c1-27-19-10-15-16(11-20(19)28-2)24-9-8-17(15)29-18-7-6-12-13(21(18)23)4-3-5-14(12)22(25)26;12-10-7-2-1-3-8(11(14)15)6(7)4-5-9(10)13/h3-11H,1-2H3,(H,25,26);1-5,13H,(H,14,15).
What are the key properties of 6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoronaphthalene-1-carboxylic acid;5-fluoro-6-hydroxynaphthalene-1-carboxylic acid?
6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoronaphthalene-1-carboxylic acid;5-fluoro-6-hydroxynaphthalene-1-carboxylic acid has a molecular weight of 599.54 g/mol, XLogP of 7.42, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoronaphthalene-1-carboxylic acid;5-fluoro-6-hydroxynaphthalene-1-carboxylic acid is sourced from PubChem (CID 159970212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).