2-ethyl-3,7-di(propan-2-yl)quinazolin-4-one

C16H22N2O — CID 176746594

IUPAC2-ethyl-3,7-di(propan-2-yl)quinazolin-4-one
SMILESCCc1nc2cc(C(C)C)ccc2c(=O)n1C(C)C
InChIInChI=1S/C16H22N2O/c1-6-15-17-14-9-12(10(2)3)7-8-13(14)16(19)18(15)11(4)5/h7-11H,6H2,1-5H3
InChIKeyWSYVACYAOOBODM-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.66
Rot. Bonds3

About 2-ethyl-3,7-di(propan-2-yl)quinazolin-4-one

2-ethyl-3,7-di(propan-2-yl)quinazolin-4-one (PubChem CID 176746594) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-ethyl-3,7-di(propan-2-yl)quinazolin-4-one.

Molecular Properties

Compound Name2-ethyl-3,7-di(propan-2-yl)quinazolin-4-one
PubChem CID176746594
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-ethyl-3,7-di(propan-2-yl)quinazolin-4-one
SMILESCCc1nc2cc(C(C)C)ccc2c(=O)n1C(C)C
InChIInChI=1S/C16H22N2O/c1-6-15-17-14-9-12(10(2)3)7-8-13(14)16(19)18(15)11(4)5/h7-11H,6H2,1-5H3
InChIKeyWSYVACYAOOBODM-UHFFFAOYSA-N
XLogP3.66
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-3,7-di(propan-2-yl)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

1,7-di(propan-2-yl)quinoxalin-2-one
CID 121384084
2-amino-7-propan-2-yl-3,1-benzoxazin-4-one
CID 504591
ethane;2-ethyl-3-methylquinazolin-4-one
CID 143999559
[1-(2-methylpropyl)-5-propan-2-ylbenzimidazol-2-yl]methanol
CID 82334161
2-ethyl-3-phenylquinazolin-4-one
CID 719985
3,6-di(propan-2-yl)-1H-quinazoline-2,4-dione
CID 58748031
2,8-di(propan-2-yl)phenazine
CID 70800003
3-ethyl-4-fluoro-7-propan-2-yl-1H-quinolin-2-one
CID 170056160
2-ethyl-4-methoxy-7-propan-2-ylisoquinolin-1-one
CID 178177819
N-tert-butyl-2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide
CID 2624649
2-(chloromethyl)-5-propan-2-yl-1-propylbenzimidazole
CID 82334173
3-[1-(2-methylpropyl)-5-propan-2-ylbenzimidazol-2-yl]propanoic acid
CID 82333910

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,7-di(propan-2-yl)quinazolin-4-one?
The IUPAC name of 2-ethyl-3,7-di(propan-2-yl)quinazolin-4-one (CID 176746594) is 2-ethyl-3,7-di(propan-2-yl)quinazolin-4-one.
What is the SMILES notation for 2-ethyl-3,7-di(propan-2-yl)quinazolin-4-one?
The canonical SMILES for 2-ethyl-3,7-di(propan-2-yl)quinazolin-4-one is CCc1nc2cc(C(C)C)ccc2c(=O)n1C(C)C.
What is the InChIKey of 2-ethyl-3,7-di(propan-2-yl)quinazolin-4-one?
The InChIKey is WSYVACYAOOBODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-6-15-17-14-9-12(10(2)3)7-8-13(14)16(19)18(15)11(4)5/h7-11H,6H2,1-5H3.
What are the key properties of 2-ethyl-3,7-di(propan-2-yl)quinazolin-4-one?
2-ethyl-3,7-di(propan-2-yl)quinazolin-4-one has a molecular weight of 258.36 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,7-di(propan-2-yl)quinazolin-4-one is sourced from PubChem (CID 176746594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).