N-[(1R)-1-(2,4-difluorophenyl)-2-hydroxyethyl]-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide

C18H16F3N3O3 — CID 171497028

About N-[(1R)-1-(2,4-difluorophenyl)-2-hydroxyethyl]-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide

N-[(1R)-1-(2,4-difluorophenyl)-2-hydroxyethyl]-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide (PubChem CID 171497028) has the molecular formula C18H16F3N3O3 and a molecular weight of 379.34 g/mol. Its IUPAC name is N-[(1R)-1-(2,4-difluorophenyl)-2-hydroxyethyl]-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[(1R)-1-(2,4-difluorophenyl)-2-hydroxyethyl]-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide
• PubChem CID: 171497028
• Molecular Formula: C18H16F3N3O3
• Molecular Weight: 379.34 g/mol
• Exact Mass: 379.11
• IUPAC Name: N-[(1R)-1-(2,4-difluorophenyl)-2-hydroxyethyl]-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide
• SMILES: O=C(CN1Cc2cc(F)ccc2NC1=O)N[C@@H](CO)c1ccc(F)cc1F
• InChI: InChI=1S/C18H16F3N3O3/c19-11-2-4-15-10(5-11)7-24(18(27)23-15)8-17(26)22-16(9-25)13-3-1-12(20)6-14(13)21/h1-6,16,25H,7-9H2,(H,22,26)(H,23,27)/t16-/m0/s1
• InChIKey: BVBMZUUIEGIMPH-INIZCTEOSA-N
• XLogP: 2.30
• TPSA: 81.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.34
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,4-difluorophenyl)-2-hydroxyethyl]-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide?

The IUPAC name of N-[(1R)-1-(2,4-difluorophenyl)-2-hydroxyethyl]-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide (CID 171497028) is N-[(1R)-1-(2,4-difluorophenyl)-2-hydroxyethyl]-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide.

What is the SMILES notation for N-[(1R)-1-(2,4-difluorophenyl)-2-hydroxyethyl]-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide?

The canonical SMILES for N-[(1R)-1-(2,4-difluorophenyl)-2-hydroxyethyl]-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide is O=C(CN1Cc2cc(F)ccc2NC1=O)N[C@@H](CO)c1ccc(F)cc1F.

What is the InChIKey of N-[(1R)-1-(2,4-difluorophenyl)-2-hydroxyethyl]-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide?

The InChIKey is BVBMZUUIEGIMPH-INIZCTEOSA-N. The full InChI is InChI=1S/C18H16F3N3O3/c19-11-2-4-15-10(5-11)7-24(18(27)23-15)8-17(26)22-16(9-25)13-3-1-12(20)6-14(13)21/h1-6,16,25H,7-9H2,(H,22,26)(H,23,27)/t16-/m0/s1.

What are the key properties of N-[(1R)-1-(2,4-difluorophenyl)-2-hydroxyethyl]-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide?

N-[(1R)-1-(2,4-difluorophenyl)-2-hydroxyethyl]-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide has a molecular weight of 379.34 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-(2,4-difluorophenyl)-2-hydroxyethyl]-2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide is sourced from PubChem (CID 171497028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).