1-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

C23H25N5O3S — CID 55961178

About 1-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

1-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 55961178) has the molecular formula C23H25N5O3S and a molecular weight of 451.55 g/mol. Its IUPAC name is 1-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
• PubChem CID: 55961178
• Molecular Formula: C23H25N5O3S
• Molecular Weight: 451.55 g/mol
• Exact Mass: 451.17
• IUPAC Name: 1-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
• SMILES: O=C(Nc1nccs1)C1CCCN(C(=O)CCc2nc3ccccc3c(=O)n2C2CC2)C1
• InChI: InChI=1S/C23H25N5O3S/c29-20(27-12-3-4-15(14-27)21(30)26-23-24-11-13-32-23)10-9-19-25-18-6-2-1-5-17(18)22(31)28(19)16-7-8-16/h1-2,5-6,11,13,15-16H,3-4,7-10,12,14H2,(H,24,26,30)
• InChIKey: VNXGUTDZVLCJNL-UHFFFAOYSA-N
• XLogP: 3.00
• TPSA: 97.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.55
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?

The IUPAC name of 1-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 55961178) is 1-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.

What is the SMILES notation for 1-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?

The canonical SMILES for 1-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is O=C(Nc1nccs1)C1CCCN(C(=O)CCc2nc3ccccc3c(=O)n2C2CC2)C1.

What is the InChIKey of 1-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?

The InChIKey is VNXGUTDZVLCJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3S/c29-20(27-12-3-4-15(14-27)21(30)26-23-24-11-13-32-23)10-9-19-25-18-6-2-1-5-17(18)22(31)28(19)16-7-8-16/h1-2,5-6,11,13,15-16H,3-4,7-10,12,14H2,(H,24,26,30).

What are the key properties of 1-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?

1-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 451.55 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 55961178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).