3-propan-2-yl-1,2,4a,5-tetrahydroquinazolin-4-one

C11H16N2O — CID 141142975

IUPAC3-propan-2-yl-1,2,4a,5-tetrahydroquinazolin-4-one
SMILESCC(C)N1CNC2=CC=CCC2C1=O
InChIInChI=1S/C11H16N2O/c1-8(2)13-7-12-10-6-4-3-5-9(10)11(13)14/h3-4,6,8-9,12H,5,7H2,1-2H3
InChIKeyAMAURAYAGMHCRS-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.24
Rot. Bonds1

About 3-propan-2-yl-1,2,4a,5-tetrahydroquinazolin-4-one

3-propan-2-yl-1,2,4a,5-tetrahydroquinazolin-4-one (PubChem CID 141142975) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-propan-2-yl-1,2,4a,5-tetrahydroquinazolin-4-one.

Molecular Properties

Compound Name3-propan-2-yl-1,2,4a,5-tetrahydroquinazolin-4-one
PubChem CID141142975
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-propan-2-yl-1,2,4a,5-tetrahydroquinazolin-4-one
SMILESCC(C)N1CNC2=CC=CCC2C1=O
InChIInChI=1S/C11H16N2O/c1-8(2)13-7-12-10-6-4-3-5-9(10)11(13)14/h3-4,6,8-9,12H,5,7H2,1-2H3
InChIKeyAMAURAYAGMHCRS-UHFFFAOYSA-N
XLogP1.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1,2,4a,5-tetrahydroquinazolin-4-one?
The IUPAC name of 3-propan-2-yl-1,2,4a,5-tetrahydroquinazolin-4-one (CID 141142975) is 3-propan-2-yl-1,2,4a,5-tetrahydroquinazolin-4-one.
What is the SMILES notation for 3-propan-2-yl-1,2,4a,5-tetrahydroquinazolin-4-one?
The canonical SMILES for 3-propan-2-yl-1,2,4a,5-tetrahydroquinazolin-4-one is CC(C)N1CNC2=CC=CCC2C1=O.
What is the InChIKey of 3-propan-2-yl-1,2,4a,5-tetrahydroquinazolin-4-one?
The InChIKey is AMAURAYAGMHCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8(2)13-7-12-10-6-4-3-5-9(10)11(13)14/h3-4,6,8-9,12H,5,7H2,1-2H3.
What are the key properties of 3-propan-2-yl-1,2,4a,5-tetrahydroquinazolin-4-one?
3-propan-2-yl-1,2,4a,5-tetrahydroquinazolin-4-one has a molecular weight of 192.26 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1,2,4a,5-tetrahydroquinazolin-4-one is sourced from PubChem (CID 141142975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).