3-(6,7-dimethoxyquinolin-4-yl)oxy-2-methyl-1,7-naphthyridine

C20H17N3O3 — CID 23156614

IUPAC3-(6,7-dimethoxyquinolin-4-yl)oxy-2-methyl-1,7-naphthyridine
SMILESCOc1cc2nccc(Oc3cc4ccncc4nc3C)c2cc1OC
InChIInChI=1S/C20H17N3O3/c1-12-18(8-13-4-6-21-11-16(13)23-12)26-17-5-7-22-15-10-20(25-3)19(24-2)9-14(15)17/h4-11H,1-3H3
InChIKeyYETWFUSDXYKXPZ-UHFFFAOYSA-N
MW347.37 g/mol
LogP4.30
Rot. Bonds4

About 3-(6,7-dimethoxyquinolin-4-yl)oxy-2-methyl-1,7-naphthyridine

3-(6,7-dimethoxyquinolin-4-yl)oxy-2-methyl-1,7-naphthyridine (PubChem CID 23156614) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 3-(6,7-dimethoxyquinolin-4-yl)oxy-2-methyl-1,7-naphthyridine.

Molecular Properties

Compound Name3-(6,7-dimethoxyquinolin-4-yl)oxy-2-methyl-1,7-naphthyridine
PubChem CID23156614
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name3-(6,7-dimethoxyquinolin-4-yl)oxy-2-methyl-1,7-naphthyridine
SMILESCOc1cc2nccc(Oc3cc4ccncc4nc3C)c2cc1OC
InChIInChI=1S/C20H17N3O3/c1-12-18(8-13-4-6-21-11-16(13)23-12)26-17-5-7-22-15-10-20(25-3)19(24-2)9-14(15)17/h4-11H,1-3H3
InChIKeyYETWFUSDXYKXPZ-UHFFFAOYSA-N
XLogP4.30
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dimethoxyquinolin-4-yl)oxy-2-methyl-1,7-naphthyridine?
The IUPAC name of 3-(6,7-dimethoxyquinolin-4-yl)oxy-2-methyl-1,7-naphthyridine (CID 23156614) is 3-(6,7-dimethoxyquinolin-4-yl)oxy-2-methyl-1,7-naphthyridine.
What is the SMILES notation for 3-(6,7-dimethoxyquinolin-4-yl)oxy-2-methyl-1,7-naphthyridine?
The canonical SMILES for 3-(6,7-dimethoxyquinolin-4-yl)oxy-2-methyl-1,7-naphthyridine is COc1cc2nccc(Oc3cc4ccncc4nc3C)c2cc1OC.
What is the InChIKey of 3-(6,7-dimethoxyquinolin-4-yl)oxy-2-methyl-1,7-naphthyridine?
The InChIKey is YETWFUSDXYKXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-12-18(8-13-4-6-21-11-16(13)23-12)26-17-5-7-22-15-10-20(25-3)19(24-2)9-14(15)17/h4-11H,1-3H3.
What are the key properties of 3-(6,7-dimethoxyquinolin-4-yl)oxy-2-methyl-1,7-naphthyridine?
3-(6,7-dimethoxyquinolin-4-yl)oxy-2-methyl-1,7-naphthyridine has a molecular weight of 347.37 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dimethoxyquinolin-4-yl)oxy-2-methyl-1,7-naphthyridine is sourced from PubChem (CID 23156614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).