2-hydroxyethyl 4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)benzoate

C19H18N2O6 — CID 155533038

IUPAC2-hydroxyethyl 4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)benzoate
SMILESCOc1cc(OC)c2c(=O)[nH]c(-c3ccc(C(=O)OCCO)cc3)nc2c1
InChIInChI=1S/C19H18N2O6/c1-25-13-9-14-16(15(10-13)26-2)18(23)21-17(20-14)11-3-5-12(6-4-11)19(24)27-8-7-22/h3-6,9-10,22H,7-8H2,1-2H3,(H,20,21,23)
InChIKeyIPQGDQZRGREEJU-UHFFFAOYSA-N
MW370.36 g/mol
LogP1.76
Rot. Bonds6

About 2-hydroxyethyl 4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)benzoate

2-hydroxyethyl 4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)benzoate (PubChem CID 155533038) has the molecular formula C19H18N2O6 and a molecular weight of 370.36 g/mol. Its IUPAC name is 2-hydroxyethyl 4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)benzoate.

Molecular Properties

Compound Name2-hydroxyethyl 4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)benzoate
PubChem CID155533038
Molecular FormulaC19H18N2O6
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Name2-hydroxyethyl 4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)benzoate
SMILESCOc1cc(OC)c2c(=O)[nH]c(-c3ccc(C(=O)OCCO)cc3)nc2c1
InChIInChI=1S/C19H18N2O6/c1-25-13-9-14-16(15(10-13)26-2)18(23)21-17(20-14)11-3-5-12(6-4-11)19(24)27-8-7-22/h3-6,9-10,22H,7-8H2,1-2H3,(H,20,21,23)
InChIKeyIPQGDQZRGREEJU-UHFFFAOYSA-N
XLogP1.76
TPSA110.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-hydroxyethyl 4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)benzoate?
The IUPAC name of 2-hydroxyethyl 4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)benzoate (CID 155533038) is 2-hydroxyethyl 4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)benzoate.
What is the SMILES notation for 2-hydroxyethyl 4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)benzoate?
The canonical SMILES for 2-hydroxyethyl 4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)benzoate is COc1cc(OC)c2c(=O)[nH]c(-c3ccc(C(=O)OCCO)cc3)nc2c1.
What is the InChIKey of 2-hydroxyethyl 4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)benzoate?
The InChIKey is IPQGDQZRGREEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O6/c1-25-13-9-14-16(15(10-13)26-2)18(23)21-17(20-14)11-3-5-12(6-4-11)19(24)27-8-7-22/h3-6,9-10,22H,7-8H2,1-2H3,(H,20,21,23).
What are the key properties of 2-hydroxyethyl 4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)benzoate?
2-hydroxyethyl 4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)benzoate has a molecular weight of 370.36 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)benzoate is sourced from PubChem (CID 155533038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).