(2,6-dihydroxy-4-methylphenyl)-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]methanone

C25H21NO6 — CID 22132797

IUPAC(2,6-dihydroxy-4-methylphenyl)-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]methanone
SMILESCOc1cc2nccc(Oc3ccc(C(=O)c4c(O)cc(C)cc4O)cc3)c2cc1OC
InChIInChI=1S/C25H21NO6/c1-14-10-19(27)24(20(28)11-14)25(29)15-4-6-16(7-5-15)32-21-8-9-26-18-13-23(31-3)22(30-2)12-17(18)21/h4-13,27-28H,1-3H3
InChIKeyWYDZSQODRIWSHJ-UHFFFAOYSA-N
MW431.44 g/mol
LogP4.99
Rot. Bonds6

About (2,6-dihydroxy-4-methylphenyl)-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]methanone

(2,6-dihydroxy-4-methylphenyl)-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]methanone (PubChem CID 22132797) has the molecular formula C25H21NO6 and a molecular weight of 431.44 g/mol. Its IUPAC name is (2,6-dihydroxy-4-methylphenyl)-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]methanone.

Molecular Properties

Compound Name(2,6-dihydroxy-4-methylphenyl)-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]methanone
PubChem CID22132797
Molecular FormulaC25H21NO6
Molecular Weight431.44 g/mol
Exact Mass431.14
IUPAC Name(2,6-dihydroxy-4-methylphenyl)-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]methanone
SMILESCOc1cc2nccc(Oc3ccc(C(=O)c4c(O)cc(C)cc4O)cc3)c2cc1OC
InChIInChI=1S/C25H21NO6/c1-14-10-19(27)24(20(28)11-14)25(29)15-4-6-16(7-5-15)32-21-8-9-26-18-13-23(31-3)22(30-2)12-17(18)21/h4-13,27-28H,1-3H3
InChIKeyWYDZSQODRIWSHJ-UHFFFAOYSA-N
XLogP4.99
TPSA98.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2,6-dihydroxy-4-methylphenyl)-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]methanone with MolForge

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Related Compounds

4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid
CID 22132796
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-[4-(trifluoromethoxy)phenyl]methanone
CID 22132745
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-5-(4-methylphenyl)pentane-2,4-dione
CID 58249515
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride
CID 118991674
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;methanethiol
CID 165143775
methane;4,6,7-trimethoxyquinoline
CID 157066291
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-methylurea
CID 23084603
methyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]benzoate
CID 22132633
ethyl 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-hydroxyphenyl]-2-oxoacetate
CID 155671428
[2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]-phenylmethanone
CID 23156626
methyl 3-(6,7-dimethoxyquinolin-4-yl)oxybenzoate
CID 71377074

Frequently Asked Questions

What is the IUPAC name of (2,6-dihydroxy-4-methylphenyl)-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]methanone?
The IUPAC name of (2,6-dihydroxy-4-methylphenyl)-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]methanone (CID 22132797) is (2,6-dihydroxy-4-methylphenyl)-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]methanone.
What is the SMILES notation for (2,6-dihydroxy-4-methylphenyl)-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]methanone?
The canonical SMILES for (2,6-dihydroxy-4-methylphenyl)-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]methanone is COc1cc2nccc(Oc3ccc(C(=O)c4c(O)cc(C)cc4O)cc3)c2cc1OC.
What is the InChIKey of (2,6-dihydroxy-4-methylphenyl)-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]methanone?
The InChIKey is WYDZSQODRIWSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO6/c1-14-10-19(27)24(20(28)11-14)25(29)15-4-6-16(7-5-15)32-21-8-9-26-18-13-23(31-3)22(30-2)12-17(18)21/h4-13,27-28H,1-3H3.
What are the key properties of (2,6-dihydroxy-4-methylphenyl)-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]methanone?
(2,6-dihydroxy-4-methylphenyl)-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]methanone has a molecular weight of 431.44 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dihydroxy-4-methylphenyl)-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]methanone is sourced from PubChem (CID 22132797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).