1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxyphenyl]ethanone

C20H19NO5 — CID 24879272

IUPAC1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxyphenyl]ethanone
SMILESCOc1ccc(C(C)=O)c(Oc2ccnc3cc(OC)c(OC)cc23)c1
InChIInChI=1S/C20H19NO5/c1-12(22)14-6-5-13(23-2)9-18(14)26-17-7-8-21-16-11-20(25-4)19(24-3)10-15(16)17/h5-11H,1-4H3
InChIKeyTXDHDIDVTBKMQX-UHFFFAOYSA-N
MW353.37 g/mol
LogP4.26
Rot. Bonds6

About 1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxyphenyl]ethanone

1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxyphenyl]ethanone (PubChem CID 24879272) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is 1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxyphenyl]ethanone
PubChem CID24879272
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxyphenyl]ethanone
SMILESCOc1ccc(C(C)=O)c(Oc2ccnc3cc(OC)c(OC)cc23)c1
InChIInChI=1S/C20H19NO5/c1-12(22)14-6-5-13(23-2)9-18(14)26-17-7-8-21-16-11-20(25-4)19(24-3)10-15(16)17/h5-11H,1-4H3
InChIKeyTXDHDIDVTBKMQX-UHFFFAOYSA-N
XLogP4.26
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methoxybenzoic acid
CID 23078521
2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxybenzaldehyde
CID 23078274
4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid
CID 22132796
methane;4,6,7-trimethoxyquinoline
CID 157066291
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
[2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]-phenylmethanone
CID 23156626
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride
CID 118991674
1-(2,5-dimethoxyphenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
CID 22132728
N-[3-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide
CID 54359484
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-methylurea
CID 23084603
ethyl 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-hydroxyphenyl]-2-oxoacetate
CID 155671428
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-5-(4-methylphenyl)pentane-2,4-dione
CID 58249515

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxyphenyl]ethanone?
The IUPAC name of 1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxyphenyl]ethanone (CID 24879272) is 1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxyphenyl]ethanone?
The canonical SMILES for 1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxyphenyl]ethanone is COc1ccc(C(C)=O)c(Oc2ccnc3cc(OC)c(OC)cc23)c1.
What is the InChIKey of 1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxyphenyl]ethanone?
The InChIKey is TXDHDIDVTBKMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-12(22)14-6-5-13(23-2)9-18(14)26-17-7-8-21-16-11-20(25-4)19(24-3)10-15(16)17/h5-11H,1-4H3.
What are the key properties of 1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxyphenyl]ethanone?
1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxyphenyl]ethanone has a molecular weight of 353.37 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxyphenyl]ethanone is sourced from PubChem (CID 24879272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).