7-methyl-2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one

C13H17N3O2 — CID 2980039

IUPAC7-methyl-2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one
SMILESCC1CC(=O)c2cnc(N3CCOCC3)nc2C1
InChIInChI=1S/C13H17N3O2/c1-9-6-11-10(12(17)7-9)8-14-13(15-11)16-2-4-18-5-3-16/h8-9H,2-7H2,1H3
InChIKeyZKABXXZMAQOZCR-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.08
Rot. Bonds1

About 7-methyl-2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one

7-methyl-2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 2980039) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 7-methyl-2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name7-methyl-2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID2980039
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name7-methyl-2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one
SMILESCC1CC(=O)c2cnc(N3CCOCC3)nc2C1
InChIInChI=1S/C13H17N3O2/c1-9-6-11-10(12(17)7-9)8-14-13(15-11)16-2-4-18-5-3-16/h8-9H,2-7H2,1H3
InChIKeyZKABXXZMAQOZCR-UHFFFAOYSA-N
XLogP1.08
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-methyl-2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one 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 7-methyl-2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 7-methyl-2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one (CID 2980039) is 7-methyl-2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 7-methyl-2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 7-methyl-2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one is CC1CC(=O)c2cnc(N3CCOCC3)nc2C1.
What is the InChIKey of 7-methyl-2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is ZKABXXZMAQOZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9-6-11-10(12(17)7-9)8-14-13(15-11)16-2-4-18-5-3-16/h8-9H,2-7H2,1H3.
What are the key properties of 7-methyl-2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one?
7-methyl-2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 247.30 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 2980039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).