6-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalene-1-carboxamide

C21H17N3O4 — CID 24823094

IUPAC6-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalene-1-carboxamide
SMILESCOc1cc2ncnc(Oc3ccc4c(C(N)=O)cccc4c3)c2cc1OC
InChIInChI=1S/C21H17N3O4/c1-26-18-9-16-17(10-19(18)27-2)23-11-24-21(16)28-13-6-7-14-12(8-13)4-3-5-15(14)20(22)25/h3-11H,1-2H3,(H2,22,25)
InChIKeyZYYNXHSAMWEIKK-UHFFFAOYSA-N
MW375.38 g/mol
LogP3.69
Rot. Bonds5

About 6-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalene-1-carboxamide

6-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalene-1-carboxamide (PubChem CID 24823094) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is 6-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalene-1-carboxamide.

Molecular Properties

Compound Name6-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalene-1-carboxamide
PubChem CID24823094
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC Name6-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalene-1-carboxamide
SMILESCOc1cc2ncnc(Oc3ccc4c(C(N)=O)cccc4c3)c2cc1OC
InChIInChI=1S/C21H17N3O4/c1-26-18-9-16-17(10-19(18)27-2)23-11-24-21(16)28-13-6-7-14-12(8-13)4-3-5-15(14)20(22)25/h3-11H,1-2H3,(H2,22,25)
InChIKeyZYYNXHSAMWEIKK-UHFFFAOYSA-N
XLogP3.69
TPSA96.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalene-1-carboxamide?
The IUPAC name of 6-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalene-1-carboxamide (CID 24823094) is 6-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalene-1-carboxamide.
What is the SMILES notation for 6-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalene-1-carboxamide?
The canonical SMILES for 6-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalene-1-carboxamide is COc1cc2ncnc(Oc3ccc4c(C(N)=O)cccc4c3)c2cc1OC.
What is the InChIKey of 6-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalene-1-carboxamide?
The InChIKey is ZYYNXHSAMWEIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4/c1-26-18-9-16-17(10-19(18)27-2)23-11-24-21(16)28-13-6-7-14-12(8-13)4-3-5-15(14)20(22)25/h3-11H,1-2H3,(H2,22,25).
What are the key properties of 6-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalene-1-carboxamide?
6-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalene-1-carboxamide has a molecular weight of 375.38 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalene-1-carboxamide is sourced from PubChem (CID 24823094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).