3-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinoline

C19H19NO4 — CID 10336427

IUPAC3-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinoline
SMILESCOc1ccc(-c2cnc3cc(OC)c(OC)cc3c2)cc1OC
InChIInChI=1S/C19H19NO4/c1-21-16-6-5-12(8-17(16)22-2)14-7-13-9-18(23-3)19(24-4)10-15(13)20-11-14/h5-11H,1-4H3
InChIKeyBWIYMDQJIKNCMK-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.94
Rot. Bonds5

About 3-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinoline

3-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinoline (PubChem CID 10336427) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinoline.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinoline
PubChem CID10336427
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name3-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinoline
SMILESCOc1ccc(-c2cnc3cc(OC)c(OC)cc3c2)cc1OC
InChIInChI=1S/C19H19NO4/c1-21-16-6-5-12(8-17(16)22-2)14-7-13-9-18(23-3)19(24-4)10-15(13)20-11-14/h5-11H,1-4H3
InChIKeyBWIYMDQJIKNCMK-UHFFFAOYSA-N
XLogP3.94
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinoline?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinoline (CID 10336427) is 3-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinoline.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinoline?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinoline is COc1ccc(-c2cnc3cc(OC)c(OC)cc3c2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinoline?
The InChIKey is BWIYMDQJIKNCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-21-16-6-5-12(8-17(16)22-2)14-7-13-9-18(23-3)19(24-4)10-15(13)20-11-14/h5-11H,1-4H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinoline?
3-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinoline has a molecular weight of 325.36 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinoline is sourced from PubChem (CID 10336427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).