3-methyl-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)butanamide

C13H19N3O2 — CID 135476804

IUPAC3-methyl-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)butanamide
SMILESCC(C)CC(=O)Nc1nc2c(c(=O)[nH]1)CCCC2
InChIInChI=1S/C13H19N3O2/c1-8(2)7-11(17)15-13-14-10-6-4-3-5-9(10)12(18)16-13/h8H,3-7H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyQNFBGSRYSXUQSX-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.63
Rot. Bonds3

About 3-methyl-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)butanamide

3-methyl-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)butanamide (PubChem CID 135476804) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-methyl-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)butanamide
PubChem CID135476804
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-methyl-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)butanamide
SMILESCC(C)CC(=O)Nc1nc2c(c(=O)[nH]1)CCCC2
InChIInChI=1S/C13H19N3O2/c1-8(2)7-11(17)15-13-14-10-6-4-3-5-9(10)12(18)16-13/h8H,3-7H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyQNFBGSRYSXUQSX-UHFFFAOYSA-N
XLogP1.63
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)butanamide?
The IUPAC name of 3-methyl-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)butanamide (CID 135476804) is 3-methyl-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)butanamide.
What is the SMILES notation for 3-methyl-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)butanamide?
The canonical SMILES for 3-methyl-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)butanamide is CC(C)CC(=O)Nc1nc2c(c(=O)[nH]1)CCCC2.
What is the InChIKey of 3-methyl-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)butanamide?
The InChIKey is QNFBGSRYSXUQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8(2)7-11(17)15-13-14-10-6-4-3-5-9(10)12(18)16-13/h8H,3-7H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 3-methyl-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)butanamide?
3-methyl-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)butanamide has a molecular weight of 249.31 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)butanamide is sourced from PubChem (CID 135476804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).