2-propan-2-ylsulfanyl-3H-quinazolin-4-one

C11H12N2OS — CID 135401613

IUPAC2-propan-2-ylsulfanyl-3H-quinazolin-4-one
SMILESCC(C)Sc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C11H12N2OS/c1-7(2)15-11-12-9-6-4-3-5-8(9)10(14)13-11/h3-7H,1-2H3,(H,12,13,14)
InChIKeyUBPQPHVQETWNIL-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.42
Rot. Bonds2

About 2-propan-2-ylsulfanyl-3H-quinazolin-4-one

2-propan-2-ylsulfanyl-3H-quinazolin-4-one (PubChem CID 135401613) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 2-propan-2-ylsulfanyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-propan-2-ylsulfanyl-3H-quinazolin-4-one
PubChem CID135401613
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name2-propan-2-ylsulfanyl-3H-quinazolin-4-one
SMILESCC(C)Sc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C11H12N2OS/c1-7(2)15-11-12-9-6-4-3-5-8(9)10(14)13-11/h3-7H,1-2H3,(H,12,13,14)
InChIKeyUBPQPHVQETWNIL-UHFFFAOYSA-N
XLogP2.42
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4(1H)-Quinazolinone
CID 135408753
2-Methyl-4(3H)-quinazolinone
CID 135400457
2-Amino-3,4-dihydroquinazolin-4-one
CID 135403814
3-Methyl-4(3H)-quinazolinone
CID 17088
Glycorine
CID 18992
2-(Trifluoromethyl)-3,4-dihydroquinazolin-4-one
CID 135415531
3-(2,6-difluorophenyl)-2-(methylthio)quinazolin-4(3H)-one
CID 25229546
2-(propylamino)-4(3H)-quinazolinone
CID 135439661
2-((2-piperidin-1-ylethyl)thio)quinazolin-4(3H)-one
CID 135520446
7-Fluoroquinazolin-4(3H)-one
CID 135398496
2-Benzylsulfanyl-3-phenylquinazolin-4-one
CID 806148
(4-Hydroxy-quinazolin-2-ylsulfanyl)-acetic acid
CID 135409719

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfanyl-3H-quinazolin-4-one?
The IUPAC name of 2-propan-2-ylsulfanyl-3H-quinazolin-4-one (CID 135401613) is 2-propan-2-ylsulfanyl-3H-quinazolin-4-one.
What is the SMILES notation for 2-propan-2-ylsulfanyl-3H-quinazolin-4-one?
The canonical SMILES for 2-propan-2-ylsulfanyl-3H-quinazolin-4-one is CC(C)Sc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-propan-2-ylsulfanyl-3H-quinazolin-4-one?
The InChIKey is UBPQPHVQETWNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-7(2)15-11-12-9-6-4-3-5-8(9)10(14)13-11/h3-7H,1-2H3,(H,12,13,14).
What are the key properties of 2-propan-2-ylsulfanyl-3H-quinazolin-4-one?
2-propan-2-ylsulfanyl-3H-quinazolin-4-one has a molecular weight of 220.30 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfanyl-3H-quinazolin-4-one is sourced from PubChem (CID 135401613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).