(2S)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)propanamide

C19H16F3N3O3 — CID 177351739

About (2S)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)propanamide

(2S)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)propanamide (PubChem CID 177351739) has the molecular formula C19H16F3N3O3 and a molecular weight of 391.35 g/mol. Its IUPAC name is (2S)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)propanamide.

Molecular Properties

• Compound Name: (2S)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)propanamide
• PubChem CID: 177351739
• Molecular Formula: C19H16F3N3O3
• Molecular Weight: 391.35 g/mol
• Exact Mass: 391.11
• IUPAC Name: (2S)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)propanamide
• SMILES: C[C@@H](NC(=O)[C@H](C)n1c(=O)[nH]c2ccc(F)cc2c1=O)c1ccc(F)cc1F
• InChI: InChI=1S/C19H16F3N3O3/c1-9(13-5-3-12(21)8-15(13)22)23-17(26)10(2)25-18(27)14-7-11(20)4-6-16(14)24-19(25)28/h3-10H,1-2H3,(H,23,26)(H,24,28)/t9-,10+/m1/s1
• InChIKey: FOFQBPBEYBCCKG-ZJUUUORDSA-N
• XLogP: 2.55
• TPSA: 83.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.35
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)propanamide?

The IUPAC name of (2S)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)propanamide (CID 177351739) is (2S)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)propanamide.

What is the SMILES notation for (2S)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)propanamide?

The canonical SMILES for (2S)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)propanamide is C[C@@H](NC(=O)[C@H](C)n1c(=O)[nH]c2ccc(F)cc2c1=O)c1ccc(F)cc1F.

What is the InChIKey of (2S)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)propanamide?

The InChIKey is FOFQBPBEYBCCKG-ZJUUUORDSA-N. The full InChI is InChI=1S/C19H16F3N3O3/c1-9(13-5-3-12(21)8-15(13)22)23-17(26)10(2)25-18(27)14-7-11(20)4-6-16(14)24-19(25)28/h3-10H,1-2H3,(H,23,26)(H,24,28)/t9-,10+/m1/s1.

What are the key properties of (2S)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)propanamide?

(2S)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)propanamide has a molecular weight of 391.35 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)propanamide is sourced from PubChem (CID 177351739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).