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

C12H17N3O2 — CID 135439622

IUPAC2-methyl-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide
SMILESCC(C)C(=O)Nc1nc2c(c(=O)[nH]1)CCCC2
InChIInChI=1S/C12H17N3O2/c1-7(2)10(16)14-12-13-9-6-4-3-5-8(9)11(17)15-12/h7H,3-6H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyULCAEYSNJBZTEU-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.24
Rot. Bonds2

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

2-methyl-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide (PubChem CID 135439622) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-methyl-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide
PubChem CID135439622
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-methyl-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide
SMILESCC(C)C(=O)Nc1nc2c(c(=O)[nH]1)CCCC2
InChIInChI=1S/C12H17N3O2/c1-7(2)10(16)14-12-13-9-6-4-3-5-8(9)11(17)15-12/h7H,3-6H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyULCAEYSNJBZTEU-UHFFFAOYSA-N
XLogP1.24
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide?
The IUPAC name of 2-methyl-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide (CID 135439622) is 2-methyl-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide?
The canonical SMILES for 2-methyl-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide is CC(C)C(=O)Nc1nc2c(c(=O)[nH]1)CCCC2.
What is the InChIKey of 2-methyl-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide?
The InChIKey is ULCAEYSNJBZTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-7(2)10(16)14-12-13-9-6-4-3-5-8(9)11(17)15-12/h7H,3-6H2,1-2H3,(H2,13,14,15,16,17).
What are the key properties of 2-methyl-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide?
2-methyl-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide has a molecular weight of 235.29 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)propanamide is sourced from PubChem (CID 135439622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).