2-methyl-N-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)butanamide

C17H19N3O2S — CID 3161824

IUPAC2-methyl-N-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)butanamide
SMILESCCC(C)C(=O)Nc1ncc2c(n1)CC(c1cccs1)CC2=O
InChIInChI=1S/C17H19N3O2S/c1-3-10(2)16(22)20-17-18-9-12-13(19-17)7-11(8-14(12)21)15-5-4-6-23-15/h4-6,9-11H,3,7-8H2,1-2H3,(H,18,19,20,22)
InChIKeyOZSXXPCNGFRQIX-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.44
Rot. Bonds4

About 2-methyl-N-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)butanamide

2-methyl-N-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)butanamide (PubChem CID 3161824) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 2-methyl-N-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)butanamide.

Molecular Properties

Compound Name2-methyl-N-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)butanamide
PubChem CID3161824
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name2-methyl-N-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)butanamide
SMILESCCC(C)C(=O)Nc1ncc2c(n1)CC(c1cccs1)CC2=O
InChIInChI=1S/C17H19N3O2S/c1-3-10(2)16(22)20-17-18-9-12-13(19-17)7-11(8-14(12)21)15-5-4-6-23-15/h4-6,9-11H,3,7-8H2,1-2H3,(H,18,19,20,22)
InChIKeyOZSXXPCNGFRQIX-UHFFFAOYSA-N
XLogP3.44
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)butanamide?
The IUPAC name of 2-methyl-N-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)butanamide (CID 3161824) is 2-methyl-N-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)butanamide.
What is the SMILES notation for 2-methyl-N-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)butanamide?
The canonical SMILES for 2-methyl-N-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)butanamide is CCC(C)C(=O)Nc1ncc2c(n1)CC(c1cccs1)CC2=O.
What is the InChIKey of 2-methyl-N-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)butanamide?
The InChIKey is OZSXXPCNGFRQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-3-10(2)16(22)20-17-18-9-12-13(19-17)7-11(8-14(12)21)15-5-4-6-23-15/h4-6,9-11H,3,7-8H2,1-2H3,(H,18,19,20,22).
What are the key properties of 2-methyl-N-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)butanamide?
2-methyl-N-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)butanamide has a molecular weight of 329.43 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)butanamide is sourced from PubChem (CID 3161824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).