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

C25H21NO5 — CID 24879211

IUPAC[2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxyphenyl]-phenylmethanone
SMILESCOc1ccc(C(=O)c2ccccc2)c(Oc2ccnc3cc(OC)c(OC)cc23)c1
InChIInChI=1S/C25H21NO5/c1-28-17-9-10-18(25(27)16-7-5-4-6-8-16)22(13-17)31-21-11-12-26-20-15-24(30-3)23(29-2)14-19(20)21/h4-15H,1-3H3
InChIKeyLFKMHOUNFWFTTF-UHFFFAOYSA-N
MW415.45 g/mol
LogP5.28
Rot. Bonds7

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

[2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxyphenyl]-phenylmethanone (PubChem CID 24879211) has the molecular formula C25H21NO5 and a molecular weight of 415.45 g/mol. Its IUPAC name is [2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxyphenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxyphenyl]-phenylmethanone
PubChem CID24879211
Molecular FormulaC25H21NO5
Molecular Weight415.45 g/mol
Exact Mass415.14
IUPAC Name[2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxyphenyl]-phenylmethanone
SMILESCOc1ccc(C(=O)c2ccccc2)c(Oc2ccnc3cc(OC)c(OC)cc23)c1
InChIInChI=1S/C25H21NO5/c1-28-17-9-10-18(25(27)16-7-5-4-6-8-16)22(13-17)31-21-11-12-26-20-15-24(30-3)23(29-2)14-19(20)21/h4-15H,1-3H3
InChIKeyLFKMHOUNFWFTTF-UHFFFAOYSA-N
XLogP5.28
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.45
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxyphenyl]-phenylmethanone?
The IUPAC name of [2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxyphenyl]-phenylmethanone (CID 24879211) is [2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxyphenyl]-phenylmethanone.
What is the SMILES notation for [2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxyphenyl]-phenylmethanone?
The canonical SMILES for [2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxyphenyl]-phenylmethanone is COc1ccc(C(=O)c2ccccc2)c(Oc2ccnc3cc(OC)c(OC)cc23)c1.
What is the InChIKey of [2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxyphenyl]-phenylmethanone?
The InChIKey is LFKMHOUNFWFTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO5/c1-28-17-9-10-18(25(27)16-7-5-4-6-8-16)22(13-17)31-21-11-12-26-20-15-24(30-3)23(29-2)14-19(20)21/h4-15H,1-3H3.
What are the key properties of [2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxyphenyl]-phenylmethanone?
[2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxyphenyl]-phenylmethanone has a molecular weight of 415.45 g/mol, XLogP of 5.28, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxyphenyl]-phenylmethanone is sourced from PubChem (CID 24879211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).