(2R)-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-3-(4-fluorophenyl)-2-(5-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)propanamide

C24H19F3N4O4 — CID 177352077

About (2R)-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-3-(4-fluorophenyl)-2-(5-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)propanamide

(2R)-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-3-(4-fluorophenyl)-2-(5-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)propanamide (PubChem CID 177352077) has the molecular formula C24H19F3N4O4 and a molecular weight of 484.43 g/mol. Its IUPAC name is (2R)-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-3-(4-fluorophenyl)-2-(5-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)propanamide.

Molecular Properties

• Compound Name: (2R)-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-3-(4-fluorophenyl)-2-(5-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)propanamide
• PubChem CID: 177352077
• Molecular Formula: C24H19F3N4O4
• Molecular Weight: 484.43 g/mol
• Exact Mass: 484.14
• IUPAC Name: (2R)-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-3-(4-fluorophenyl)-2-(5-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)propanamide
• SMILES: C[C@@H](NC(=O)[C@@H](Cc1ccc(F)cc1)n1c(=O)[nH]c2cccc(O)c2c1=O)c1ncc(F)cc1F
• InChI: InChI=1S/C24H19F3N4O4/c1-12(21-16(27)10-15(26)11-28-21)29-22(33)18(9-13-5-7-14(25)8-6-13)31-23(34)20-17(30-24(31)35)3-2-4-19(20)32/h2-8,10-12,18,32H,9H2,1H3,(H,29,33)(H,30,35)/t12-,18-/m1/s1
• InChIKey: VAZQXZRTPSQTHG-KZULUSFZSA-N
• XLogP: 2.87
• TPSA: 117.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.43
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-3-(4-fluorophenyl)-2-(5-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)propanamide?

The IUPAC name of (2R)-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-3-(4-fluorophenyl)-2-(5-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)propanamide (CID 177352077) is (2R)-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-3-(4-fluorophenyl)-2-(5-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)propanamide.

What is the SMILES notation for (2R)-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-3-(4-fluorophenyl)-2-(5-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)propanamide?

The canonical SMILES for (2R)-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-3-(4-fluorophenyl)-2-(5-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)propanamide is C[C@@H](NC(=O)[C@@H](Cc1ccc(F)cc1)n1c(=O)[nH]c2cccc(O)c2c1=O)c1ncc(F)cc1F.

What is the InChIKey of (2R)-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-3-(4-fluorophenyl)-2-(5-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)propanamide?

The InChIKey is VAZQXZRTPSQTHG-KZULUSFZSA-N. The full InChI is InChI=1S/C24H19F3N4O4/c1-12(21-16(27)10-15(26)11-28-21)29-22(33)18(9-13-5-7-14(25)8-6-13)31-23(34)20-17(30-24(31)35)3-2-4-19(20)32/h2-8,10-12,18,32H,9H2,1H3,(H,29,33)(H,30,35)/t12-,18-/m1/s1.

What are the key properties of (2R)-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-3-(4-fluorophenyl)-2-(5-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)propanamide?

(2R)-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-3-(4-fluorophenyl)-2-(5-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)propanamide has a molecular weight of 484.43 g/mol, XLogP of 2.87, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-3-(4-fluorophenyl)-2-(5-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)propanamide is sourced from PubChem (CID 177352077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).