N-cyclohexyl-1,5-dioxo-2-phenacyl-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

C27H29N5O4 — CID 50775213

About N-cyclohexyl-1,5-dioxo-2-phenacyl-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

N-cyclohexyl-1,5-dioxo-2-phenacyl-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide (PubChem CID 50775213) has the molecular formula C27H29N5O4 and a molecular weight of 487.56 g/mol. Its IUPAC name is N-cyclohexyl-1,5-dioxo-2-phenacyl-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide.

Molecular Properties

• Compound Name: N-cyclohexyl-1,5-dioxo-2-phenacyl-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
• PubChem CID: 50775213
• Molecular Formula: C27H29N5O4
• Molecular Weight: 487.56 g/mol
• Exact Mass: 487.22
• IUPAC Name: N-cyclohexyl-1,5-dioxo-2-phenacyl-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
• SMILES: CC(C)n1c(=O)c2ccc(C(=O)NC3CCCCC3)cc2n2c(=O)n(CC(=O)c3ccccc3)nc12
• InChI: InChI=1S/C27H29N5O4/c1-17(2)31-25(35)21-14-13-19(24(34)28-20-11-7-4-8-12-20)15-22(21)32-26(31)29-30(27(32)36)16-23(33)18-9-5-3-6-10-18/h3,5-6,9-10,13-15,17,20H,4,7-8,11-12,16H2,1-2H3,(H,28,34)
• InChIKey: QFFCDQXMFHIUMY-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 107.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.56
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1,5-dioxo-2-phenacyl-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide?

The IUPAC name of N-cyclohexyl-1,5-dioxo-2-phenacyl-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide (CID 50775213) is N-cyclohexyl-1,5-dioxo-2-phenacyl-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide.

What is the SMILES notation for N-cyclohexyl-1,5-dioxo-2-phenacyl-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide?

The canonical SMILES for N-cyclohexyl-1,5-dioxo-2-phenacyl-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide is CC(C)n1c(=O)c2ccc(C(=O)NC3CCCCC3)cc2n2c(=O)n(CC(=O)c3ccccc3)nc12.

What is the InChIKey of N-cyclohexyl-1,5-dioxo-2-phenacyl-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide?

The InChIKey is QFFCDQXMFHIUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O4/c1-17(2)31-25(35)21-14-13-19(24(34)28-20-11-7-4-8-12-20)15-22(21)32-26(31)29-30(27(32)36)16-23(33)18-9-5-3-6-10-18/h3,5-6,9-10,13-15,17,20H,4,7-8,11-12,16H2,1-2H3,(H,28,34).

What are the key properties of N-cyclohexyl-1,5-dioxo-2-phenacyl-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide?

N-cyclohexyl-1,5-dioxo-2-phenacyl-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide has a molecular weight of 487.56 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-1,5-dioxo-2-phenacyl-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide is sourced from PubChem (CID 50775213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).