3-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)benzamide

C21H22N4O4 — CID 118733741

IUPAC3-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)benzamide
SMILESCOc1cc2nc(-c3cccc(C(N)=O)c3)nc(N3CCOCC3)c2cc1OC
InChIInChI=1S/C21H22N4O4/c1-27-17-11-15-16(12-18(17)28-2)23-20(14-5-3-4-13(10-14)19(22)26)24-21(15)25-6-8-29-9-7-25/h3-5,10-12H,6-9H2,1-2H3,(H2,22,26)
InChIKeyUOBMKCYJPQWFNP-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.25
Rot. Bonds5

About 3-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)benzamide

3-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)benzamide (PubChem CID 118733741) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 3-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)benzamide.

Molecular Properties

Compound Name3-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)benzamide
PubChem CID118733741
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name3-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)benzamide
SMILESCOc1cc2nc(-c3cccc(C(N)=O)c3)nc(N3CCOCC3)c2cc1OC
InChIInChI=1S/C21H22N4O4/c1-27-17-11-15-16(12-18(17)28-2)23-20(14-5-3-4-13(10-14)19(22)26)24-21(15)25-6-8-29-9-7-25/h3-5,10-12H,6-9H2,1-2H3,(H2,22,26)
InChIKeyUOBMKCYJPQWFNP-UHFFFAOYSA-N
XLogP2.25
TPSA99.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)benzamide 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 3-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)benzamide?
The IUPAC name of 3-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)benzamide (CID 118733741) is 3-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)benzamide.
What is the SMILES notation for 3-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)benzamide?
The canonical SMILES for 3-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)benzamide is COc1cc2nc(-c3cccc(C(N)=O)c3)nc(N3CCOCC3)c2cc1OC.
What is the InChIKey of 3-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)benzamide?
The InChIKey is UOBMKCYJPQWFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-27-17-11-15-16(12-18(17)28-2)23-20(14-5-3-4-13(10-14)19(22)26)24-21(15)25-6-8-29-9-7-25/h3-5,10-12H,6-9H2,1-2H3,(H2,22,26).
What are the key properties of 3-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)benzamide?
3-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)benzamide has a molecular weight of 394.43 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-yl)benzamide is sourced from PubChem (CID 118733741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).