2-[2-(dimethylamino)ethoxy]-7-methoxy-3H-quinazolin-4-one

C13H17N3O3 — CID 154382532

IUPAC2-[2-(dimethylamino)ethoxy]-7-methoxy-3H-quinazolin-4-one
SMILESCOc1ccc2c(=O)[nH]c(OCCN(C)C)nc2c1
InChIInChI=1S/C13H17N3O3/c1-16(2)6-7-19-13-14-11-8-9(18-3)4-5-10(11)12(17)15-13/h4-5,8H,6-7H2,1-3H3,(H,14,15,17)
InChIKeyZQUTUZKPHOYWAZ-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.87
Rot. Bonds5

About 2-[2-(dimethylamino)ethoxy]-7-methoxy-3H-quinazolin-4-one

2-[2-(dimethylamino)ethoxy]-7-methoxy-3H-quinazolin-4-one (PubChem CID 154382532) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethoxy]-7-methoxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethoxy]-7-methoxy-3H-quinazolin-4-one
PubChem CID154382532
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-[2-(dimethylamino)ethoxy]-7-methoxy-3H-quinazolin-4-one
SMILESCOc1ccc2c(=O)[nH]c(OCCN(C)C)nc2c1
InChIInChI=1S/C13H17N3O3/c1-16(2)6-7-19-13-14-11-8-9(18-3)4-5-10(11)12(17)15-13/h4-5,8H,6-7H2,1-3H3,(H,14,15,17)
InChIKeyZQUTUZKPHOYWAZ-UHFFFAOYSA-N
XLogP0.87
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethoxy]-7-methoxy-3H-quinazolin-4-one?
The IUPAC name of 2-[2-(dimethylamino)ethoxy]-7-methoxy-3H-quinazolin-4-one (CID 154382532) is 2-[2-(dimethylamino)ethoxy]-7-methoxy-3H-quinazolin-4-one.
What is the SMILES notation for 2-[2-(dimethylamino)ethoxy]-7-methoxy-3H-quinazolin-4-one?
The canonical SMILES for 2-[2-(dimethylamino)ethoxy]-7-methoxy-3H-quinazolin-4-one is COc1ccc2c(=O)[nH]c(OCCN(C)C)nc2c1.
What is the InChIKey of 2-[2-(dimethylamino)ethoxy]-7-methoxy-3H-quinazolin-4-one?
The InChIKey is ZQUTUZKPHOYWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-16(2)6-7-19-13-14-11-8-9(18-3)4-5-10(11)12(17)15-13/h4-5,8H,6-7H2,1-3H3,(H,14,15,17).
What are the key properties of 2-[2-(dimethylamino)ethoxy]-7-methoxy-3H-quinazolin-4-one?
2-[2-(dimethylamino)ethoxy]-7-methoxy-3H-quinazolin-4-one has a molecular weight of 263.30 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethoxy]-7-methoxy-3H-quinazolin-4-one is sourced from PubChem (CID 154382532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).