2-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoylamino]thiophene-3-carboxamide

C18H19N5O3S — CID 135959612

About 2-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoylamino]thiophene-3-carboxamide

2-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoylamino]thiophene-3-carboxamide (PubChem CID 135959612) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is 2-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoylamino]thiophene-3-carboxamide.

Molecular Properties

• Compound Name: 2-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoylamino]thiophene-3-carboxamide
• PubChem CID: 135959612
• Molecular Formula: C18H19N5O3S
• Molecular Weight: 385.45 g/mol
• Exact Mass: 385.12
• IUPAC Name: 2-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoylamino]thiophene-3-carboxamide
• SMILES: CC(C(=O)Nc1sccc1C(N)=O)N(C)Cc1nc2ccccc2c(=O)[nH]1
• InChI: InChI=1S/C18H19N5O3S/c1-10(16(25)22-18-12(15(19)24)7-8-27-18)23(2)9-14-20-13-6-4-3-5-11(13)17(26)21-14/h3-8,10H,9H2,1-2H3,(H2,19,24)(H,22,25)(H,20,21,26)
• InChIKey: SOGBPRKOXUYQEI-UHFFFAOYSA-N
• XLogP: 1.54
• TPSA: 121.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.45
LogP ≤ 5	1.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoylamino]thiophene-3-carboxamide?

The IUPAC name of 2-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoylamino]thiophene-3-carboxamide (CID 135959612) is 2-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoylamino]thiophene-3-carboxamide.

What is the SMILES notation for 2-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoylamino]thiophene-3-carboxamide?

The canonical SMILES for 2-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoylamino]thiophene-3-carboxamide is CC(C(=O)Nc1sccc1C(N)=O)N(C)Cc1nc2ccccc2c(=O)[nH]1.

What is the InChIKey of 2-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoylamino]thiophene-3-carboxamide?

The InChIKey is SOGBPRKOXUYQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-10(16(25)22-18-12(15(19)24)7-8-27-18)23(2)9-14-20-13-6-4-3-5-11(13)17(26)21-14/h3-8,10H,9H2,1-2H3,(H2,19,24)(H,22,25)(H,20,21,26).

What are the key properties of 2-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoylamino]thiophene-3-carboxamide?

2-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoylamino]thiophene-3-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 1.54, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanoylamino]thiophene-3-carboxamide is sourced from PubChem (CID 135959612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).