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

C16H17N3O2S — CID 2917099

IUPAC2-methyl-N-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)propanamide
SMILESCC(C)C(=O)Nc1ncc2c(n1)CC(c1cccs1)CC2=O
InChIInChI=1S/C16H17N3O2S/c1-9(2)15(21)19-16-17-8-11-12(18-16)6-10(7-13(11)20)14-4-3-5-22-14/h3-5,8-10H,6-7H2,1-2H3,(H,17,18,19,21)
InChIKeyYPMWIVBLLPUGOQ-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.05
Rot. Bonds3

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

2-methyl-N-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)propanamide (PubChem CID 2917099) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 2-methyl-N-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)propanamide
PubChem CID2917099
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name2-methyl-N-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)propanamide
SMILESCC(C)C(=O)Nc1ncc2c(n1)CC(c1cccs1)CC2=O
InChIInChI=1S/C16H17N3O2S/c1-9(2)15(21)19-16-17-8-11-12(18-16)6-10(7-13(11)20)14-4-3-5-22-14/h3-5,8-10H,6-7H2,1-2H3,(H,17,18,19,21)
InChIKeyYPMWIVBLLPUGOQ-UHFFFAOYSA-N
XLogP3.05
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.05
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)propanamide?
The IUPAC name of 2-methyl-N-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)propanamide (CID 2917099) is 2-methyl-N-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)propanamide?
The canonical SMILES for 2-methyl-N-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)propanamide is CC(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)propanamide?
The InChIKey is YPMWIVBLLPUGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-9(2)15(21)19-16-17-8-11-12(18-16)6-10(7-13(11)20)14-4-3-5-22-14/h3-5,8-10H,6-7H2,1-2H3,(H,17,18,19,21).
What are the key properties of 2-methyl-N-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)propanamide?
2-methyl-N-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)propanamide has a molecular weight of 315.40 g/mol, XLogP of 3.05, 3 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)propanamide is sourced from PubChem (CID 2917099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).