[2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]-phenylmethanone

C26H23NO4 — CID 23156626

IUPAC[2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]-phenylmethanone
SMILESCOc1cc2nccc(Oc3cc(C)c(C)cc3C(=O)c3ccccc3)c2cc1OC
InChIInChI=1S/C26H23NO4/c1-16-12-20(26(28)18-8-6-5-7-9-18)23(13-17(16)2)31-22-10-11-27-21-15-25(30-4)24(29-3)14-19(21)22/h5-15H,1-4H3
InChIKeyIVYIJLNLIWKBHN-UHFFFAOYSA-N
MW413.47 g/mol
LogP5.89
Rot. Bonds6

About [2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]-phenylmethanone

[2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]-phenylmethanone (PubChem CID 23156626) has the molecular formula C26H23NO4 and a molecular weight of 413.47 g/mol. Its IUPAC name is [2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]-phenylmethanone
PubChem CID23156626
Molecular FormulaC26H23NO4
Molecular Weight413.47 g/mol
Exact Mass413.16
IUPAC Name[2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]-phenylmethanone
SMILESCOc1cc2nccc(Oc3cc(C)c(C)cc3C(=O)c3ccccc3)c2cc1OC
InChIInChI=1S/C26H23NO4/c1-16-12-20(26(28)18-8-6-5-7-9-18)23(13-17(16)2)31-22-10-11-27-21-15-25(30-4)24(29-3)14-19(21)22/h5-15H,1-4H3
InChIKeyIVYIJLNLIWKBHN-UHFFFAOYSA-N
XLogP5.89
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.47
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(2-benzoyl-4-methylphenoxy)-6-methoxyquinolin-7-yl]oxy-1-imidazol-1-ylpropan-1-one
CID 86605180
[2-[7-(3-chloropropoxy)-6-methoxyquinolin-4-yl]oxy-5-methylphenyl]-phenylmethanone;[2-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-5-methylphenyl]-phenylmethanone
CID 87592843
4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid
CID 22132796
[2-[7-(4-chlorobutoxy)-6-methoxyquinolin-4-yl]oxy-5-methylphenyl]-phenylmethanone;[2-[6-methoxy-7-[4-(4-methylpiperazin-1-yl)butoxy]quinolin-4-yl]oxy-5-methylphenyl]-phenylmethanone
CID 87591071
1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxyphenyl]ethanone
CID 24879272
2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methoxybenzoic acid
CID 23078521
(2,6-dihydroxy-4-methylphenyl)-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]methanone
CID 22132797
N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-7-methoxynaphthalen-1-yl]benzamide
CID 11294587
methyl 3-(6,7-dimethoxyquinolin-4-yl)oxybenzoate
CID 71377074
methyl 2-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxybenzoate
CID 175032455
methane;4,6,7-trimethoxyquinoline
CID 157066291
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459

Frequently Asked Questions

What is the IUPAC name of [2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]-phenylmethanone?
The IUPAC name of [2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]-phenylmethanone (CID 23156626) is [2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]-phenylmethanone.
What is the SMILES notation for [2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]-phenylmethanone?
The canonical SMILES for [2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]-phenylmethanone is COc1cc2nccc(Oc3cc(C)c(C)cc3C(=O)c3ccccc3)c2cc1OC.
What is the InChIKey of [2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]-phenylmethanone?
The InChIKey is IVYIJLNLIWKBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO4/c1-16-12-20(26(28)18-8-6-5-7-9-18)23(13-17(16)2)31-22-10-11-27-21-15-25(30-4)24(29-3)14-19(21)22/h5-15H,1-4H3.
What are the key properties of [2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]-phenylmethanone?
[2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]-phenylmethanone has a molecular weight of 413.47 g/mol, XLogP of 5.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]-phenylmethanone is sourced from PubChem (CID 23156626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).