2-[(4-methoxy-2,2-dimethylbutyl)amino]-3H-quinazolin-4-one

C15H21N3O2 — CID 137273780

IUPAC2-[(4-methoxy-2,2-dimethylbutyl)amino]-3H-quinazolin-4-one
SMILESCOCCC(C)(C)CNc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C15H21N3O2/c1-15(2,8-9-20-3)10-16-14-17-12-7-5-4-6-11(12)13(19)18-14/h4-7H,8-10H2,1-3H3,(H2,16,17,18,19)
InChIKeyYVHIHTCUBBAMMT-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.40
Rot. Bonds6

About 2-[(4-methoxy-2,2-dimethylbutyl)amino]-3H-quinazolin-4-one

2-[(4-methoxy-2,2-dimethylbutyl)amino]-3H-quinazolin-4-one (PubChem CID 137273780) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[(4-methoxy-2,2-dimethylbutyl)amino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(4-methoxy-2,2-dimethylbutyl)amino]-3H-quinazolin-4-one
PubChem CID137273780
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[(4-methoxy-2,2-dimethylbutyl)amino]-3H-quinazolin-4-one
SMILESCOCCC(C)(C)CNc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C15H21N3O2/c1-15(2,8-9-20-3)10-16-14-17-12-7-5-4-6-11(12)13(19)18-14/h4-7H,8-10H2,1-3H3,(H2,16,17,18,19)
InChIKeyYVHIHTCUBBAMMT-UHFFFAOYSA-N
XLogP2.40
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(4-methoxy-2,2-dimethylbutyl)amino]-3H-quinazolin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

2-(5-methoxypentylamino)-3H-quinazolin-4-one
CID 137264454
2-(propylamino)-3H-quinazolin-4-one
CID 135439661
2-[(3-hydroxy-3-phenylbutyl)amino]-3H-quinazolin-4-one
CID 137267444
2-(4-propan-2-yloxybutylamino)-3H-quinazolin-4-one
CID 137257492
N,N-dimethyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]acetamide
CID 137264056
2-[[1-(4-chlorophenyl)-3-methoxypropyl]amino]-3H-quinazolin-4-one
CID 137264955
2-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]-3H-quinazolin-4-one
CID 137266334
2-[[4-(dimethylamino)phenyl]methylamino]-3H-quinazolin-4-one
CID 137264078
2-[(4-ethoxy-3-methoxyphenyl)methylamino]-3H-quinazolin-4-one
CID 137264237
N-benzyl-N-ethyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]acetamide
CID 137264386
2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-3H-quinazolin-4-one
CID 137264057
2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-3H-quinazolin-4-one
CID 137264486

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-2,2-dimethylbutyl)amino]-3H-quinazolin-4-one?
The IUPAC name of 2-[(4-methoxy-2,2-dimethylbutyl)amino]-3H-quinazolin-4-one (CID 137273780) is 2-[(4-methoxy-2,2-dimethylbutyl)amino]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(4-methoxy-2,2-dimethylbutyl)amino]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(4-methoxy-2,2-dimethylbutyl)amino]-3H-quinazolin-4-one is COCCC(C)(C)CNc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[(4-methoxy-2,2-dimethylbutyl)amino]-3H-quinazolin-4-one?
The InChIKey is YVHIHTCUBBAMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-15(2,8-9-20-3)10-16-14-17-12-7-5-4-6-11(12)13(19)18-14/h4-7H,8-10H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-[(4-methoxy-2,2-dimethylbutyl)amino]-3H-quinazolin-4-one?
2-[(4-methoxy-2,2-dimethylbutyl)amino]-3H-quinazolin-4-one has a molecular weight of 275.35 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-2,2-dimethylbutyl)amino]-3H-quinazolin-4-one is sourced from PubChem (CID 137273780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).