4-tert-butyl-3,4-dihydro-1H-quinazolin-2-one

C12H16N2O — CID 90275263

IUPAC4-tert-butyl-3,4-dihydro-1H-quinazolin-2-one
SMILESCC(C)(C)C1NC(=O)Nc2ccccc21
InChIInChI=1S/C12H16N2O/c1-12(2,3)10-8-6-4-5-7-9(8)13-11(15)14-10/h4-7,10H,1-3H3,(H2,13,14,15)
InChIKeyWHHUYFBCSFAIFV-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.91
Rot. Bonds

About 4-tert-butyl-3,4-dihydro-1H-quinazolin-2-one

4-tert-butyl-3,4-dihydro-1H-quinazolin-2-one (PubChem CID 90275263) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 4-tert-butyl-3,4-dihydro-1H-quinazolin-2-one.

Molecular Properties

Compound Name4-tert-butyl-3,4-dihydro-1H-quinazolin-2-one
PubChem CID90275263
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name4-tert-butyl-3,4-dihydro-1H-quinazolin-2-one
SMILESCC(C)(C)C1NC(=O)Nc2ccccc21
InChIInChI=1S/C12H16N2O/c1-12(2,3)10-8-6-4-5-7-9(8)13-11(15)14-10/h4-7,10H,1-3H3,(H2,13,14,15)
InChIKeyWHHUYFBCSFAIFV-UHFFFAOYSA-N
XLogP2.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3,4-dihydro-1H-quinazolin-2-one?
The IUPAC name of 4-tert-butyl-3,4-dihydro-1H-quinazolin-2-one (CID 90275263) is 4-tert-butyl-3,4-dihydro-1H-quinazolin-2-one.
What is the SMILES notation for 4-tert-butyl-3,4-dihydro-1H-quinazolin-2-one?
The canonical SMILES for 4-tert-butyl-3,4-dihydro-1H-quinazolin-2-one is CC(C)(C)C1NC(=O)Nc2ccccc21.
What is the InChIKey of 4-tert-butyl-3,4-dihydro-1H-quinazolin-2-one?
The InChIKey is WHHUYFBCSFAIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-12(2,3)10-8-6-4-5-7-9(8)13-11(15)14-10/h4-7,10H,1-3H3,(H2,13,14,15).
What are the key properties of 4-tert-butyl-3,4-dihydro-1H-quinazolin-2-one?
4-tert-butyl-3,4-dihydro-1H-quinazolin-2-one has a molecular weight of 204.27 g/mol, XLogP of 2.91, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3,4-dihydro-1H-quinazolin-2-one is sourced from PubChem (CID 90275263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).