N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-4-yl)-3-methylbutanamide

C15H21N3O2 — CID 658911

IUPACN-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-4-yl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ncnc2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C15H21N3O2/c1-9(2)5-12(20)18-14-13-10(16-8-17-14)6-15(3,4)7-11(13)19/h8-9H,5-7H2,1-4H3,(H,16,17,18,20)
InChIKeyMTCYUOAMUALYPW-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.62
Rot. Bonds3

About N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-4-yl)-3-methylbutanamide

N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-4-yl)-3-methylbutanamide (PubChem CID 658911) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-4-yl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-4-yl)-3-methylbutanamide
PubChem CID658911
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-4-yl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ncnc2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C15H21N3O2/c1-9(2)5-12(20)18-14-13-10(16-8-17-14)6-15(3,4)7-11(13)19/h8-9H,5-7H2,1-4H3,(H,16,17,18,20)
InChIKeyMTCYUOAMUALYPW-UHFFFAOYSA-N
XLogP2.62
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-4-yl)-3-methylbutanamide 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 N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-4-yl)-3-methylbutanamide?
The IUPAC name of N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-4-yl)-3-methylbutanamide (CID 658911) is N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-4-yl)-3-methylbutanamide.
What is the SMILES notation for N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-4-yl)-3-methylbutanamide?
The canonical SMILES for N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-4-yl)-3-methylbutanamide is CC(C)CC(=O)Nc1ncnc2c1C(=O)CC(C)(C)C2.
What is the InChIKey of N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-4-yl)-3-methylbutanamide?
The InChIKey is MTCYUOAMUALYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-9(2)5-12(20)18-14-13-10(16-8-17-14)6-15(3,4)7-11(13)19/h8-9H,5-7H2,1-4H3,(H,16,17,18,20).
What are the key properties of N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-4-yl)-3-methylbutanamide?
N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-4-yl)-3-methylbutanamide has a molecular weight of 275.35 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-4-yl)-3-methylbutanamide is sourced from PubChem (CID 658911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).