3-butan-2-yl-2,2-dimethyl-1H-quinazolin-4-one

C14H20N2O — CID 54779141

IUPAC3-butan-2-yl-2,2-dimethyl-1H-quinazolin-4-one
SMILESCCC(C)N1C(=O)c2ccccc2NC1(C)C
InChIInChI=1S/C14H20N2O/c1-5-10(2)16-13(17)11-8-6-7-9-12(11)15-14(16,3)4/h6-10,15H,5H2,1-4H3
InChIKeyAOKKBICAGYKBJB-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.09
Rot. Bonds2

About 3-butan-2-yl-2,2-dimethyl-1H-quinazolin-4-one

3-butan-2-yl-2,2-dimethyl-1H-quinazolin-4-one (PubChem CID 54779141) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-butan-2-yl-2,2-dimethyl-1H-quinazolin-4-one.

Molecular Properties

Compound Name3-butan-2-yl-2,2-dimethyl-1H-quinazolin-4-one
PubChem CID54779141
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-butan-2-yl-2,2-dimethyl-1H-quinazolin-4-one
SMILESCCC(C)N1C(=O)c2ccccc2NC1(C)C
InChIInChI=1S/C14H20N2O/c1-5-10(2)16-13(17)11-8-6-7-9-12(11)15-14(16,3)4/h6-10,15H,5H2,1-4H3
InChIKeyAOKKBICAGYKBJB-UHFFFAOYSA-N
XLogP3.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-2,2-dimethyl-1H-quinazolin-4-one?
The IUPAC name of 3-butan-2-yl-2,2-dimethyl-1H-quinazolin-4-one (CID 54779141) is 3-butan-2-yl-2,2-dimethyl-1H-quinazolin-4-one.
What is the SMILES notation for 3-butan-2-yl-2,2-dimethyl-1H-quinazolin-4-one?
The canonical SMILES for 3-butan-2-yl-2,2-dimethyl-1H-quinazolin-4-one is CCC(C)N1C(=O)c2ccccc2NC1(C)C.
What is the InChIKey of 3-butan-2-yl-2,2-dimethyl-1H-quinazolin-4-one?
The InChIKey is AOKKBICAGYKBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-5-10(2)16-13(17)11-8-6-7-9-12(11)15-14(16,3)4/h6-10,15H,5H2,1-4H3.
What are the key properties of 3-butan-2-yl-2,2-dimethyl-1H-quinazolin-4-one?
3-butan-2-yl-2,2-dimethyl-1H-quinazolin-4-one has a molecular weight of 232.33 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-2,2-dimethyl-1H-quinazolin-4-one is sourced from PubChem (CID 54779141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).