2,5,6,7,8-pentamethyl-3-propan-2-ylquinazolin-4-one

C16H22N2O — CID 126586554

IUPAC2,5,6,7,8-pentamethyl-3-propan-2-ylquinazolin-4-one
SMILESCc1c(C)c(C)c2c(=O)n(C(C)C)c(C)nc2c1C
InChIInChI=1S/C16H22N2O/c1-8(2)18-13(7)17-15-12(6)10(4)9(3)11(5)14(15)16(18)19/h8H,1-7H3
InChIKeyUNJNSLXFOPJORJ-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.52
Rot. Bonds1

About 2,5,6,7,8-pentamethyl-3-propan-2-ylquinazolin-4-one

2,5,6,7,8-pentamethyl-3-propan-2-ylquinazolin-4-one (PubChem CID 126586554) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2,5,6,7,8-pentamethyl-3-propan-2-ylquinazolin-4-one.

Molecular Properties

Compound Name2,5,6,7,8-pentamethyl-3-propan-2-ylquinazolin-4-one
PubChem CID126586554
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2,5,6,7,8-pentamethyl-3-propan-2-ylquinazolin-4-one
SMILESCc1c(C)c(C)c2c(=O)n(C(C)C)c(C)nc2c1C
InChIInChI=1S/C16H22N2O/c1-8(2)18-13(7)17-15-12(6)10(4)9(3)11(5)14(15)16(18)19/h8H,1-7H3
InChIKeyUNJNSLXFOPJORJ-UHFFFAOYSA-N
XLogP3.52
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,5,6,7,8-pentamethyl-3-propan-2-ylquinazolin-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

Frequently Asked Questions

What is the IUPAC name of 2,5,6,7,8-pentamethyl-3-propan-2-ylquinazolin-4-one?
The IUPAC name of 2,5,6,7,8-pentamethyl-3-propan-2-ylquinazolin-4-one (CID 126586554) is 2,5,6,7,8-pentamethyl-3-propan-2-ylquinazolin-4-one.
What is the SMILES notation for 2,5,6,7,8-pentamethyl-3-propan-2-ylquinazolin-4-one?
The canonical SMILES for 2,5,6,7,8-pentamethyl-3-propan-2-ylquinazolin-4-one is Cc1c(C)c(C)c2c(=O)n(C(C)C)c(C)nc2c1C.
What is the InChIKey of 2,5,6,7,8-pentamethyl-3-propan-2-ylquinazolin-4-one?
The InChIKey is UNJNSLXFOPJORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-8(2)18-13(7)17-15-12(6)10(4)9(3)11(5)14(15)16(18)19/h8H,1-7H3.
What are the key properties of 2,5,6,7,8-pentamethyl-3-propan-2-ylquinazolin-4-one?
2,5,6,7,8-pentamethyl-3-propan-2-ylquinazolin-4-one has a molecular weight of 258.36 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6,7,8-pentamethyl-3-propan-2-ylquinazolin-4-one is sourced from PubChem (CID 126586554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).