6,7-dimethoxy-4-(3-methoxyphenoxy)quinoline

C18H17NO4 — CID 22132666

IUPAC6,7-dimethoxy-4-(3-methoxyphenoxy)quinoline
SMILESCOc1cccc(Oc2ccnc3cc(OC)c(OC)cc23)c1
InChIInChI=1S/C18H17NO4/c1-20-12-5-4-6-13(9-12)23-16-7-8-19-15-11-18(22-3)17(21-2)10-14(15)16/h4-11H,1-3H3
InChIKeySORFICSDHDADIC-UHFFFAOYSA-N
MW311.34 g/mol
LogP4.05
Rot. Bonds5

About 6,7-dimethoxy-4-(3-methoxyphenoxy)quinoline

6,7-dimethoxy-4-(3-methoxyphenoxy)quinoline (PubChem CID 22132666) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is 6,7-dimethoxy-4-(3-methoxyphenoxy)quinoline.

Molecular Properties

Compound Name6,7-dimethoxy-4-(3-methoxyphenoxy)quinoline
PubChem CID22132666
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name6,7-dimethoxy-4-(3-methoxyphenoxy)quinoline
SMILESCOc1cccc(Oc2ccnc3cc(OC)c(OC)cc23)c1
InChIInChI=1S/C18H17NO4/c1-20-12-5-4-6-13(9-12)23-16-7-8-19-15-11-18(22-3)17(21-2)10-14(15)16/h4-11H,1-3H3
InChIKeySORFICSDHDADIC-UHFFFAOYSA-N
XLogP4.05
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-(3-methoxyphenoxy)quinoline?
The IUPAC name of 6,7-dimethoxy-4-(3-methoxyphenoxy)quinoline (CID 22132666) is 6,7-dimethoxy-4-(3-methoxyphenoxy)quinoline.
What is the SMILES notation for 6,7-dimethoxy-4-(3-methoxyphenoxy)quinoline?
The canonical SMILES for 6,7-dimethoxy-4-(3-methoxyphenoxy)quinoline is COc1cccc(Oc2ccnc3cc(OC)c(OC)cc23)c1.
What is the InChIKey of 6,7-dimethoxy-4-(3-methoxyphenoxy)quinoline?
The InChIKey is SORFICSDHDADIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-20-12-5-4-6-13(9-12)23-16-7-8-19-15-11-18(22-3)17(21-2)10-14(15)16/h4-11H,1-3H3.
What are the key properties of 6,7-dimethoxy-4-(3-methoxyphenoxy)quinoline?
6,7-dimethoxy-4-(3-methoxyphenoxy)quinoline has a molecular weight of 311.34 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-(3-methoxyphenoxy)quinoline is sourced from PubChem (CID 22132666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).