2-(3,5-difluorophenyl)-N-[2-(dimethylamino)-6-fluoro-4-oxoquinazolin-3-yl]acetamide

C18H15F3N4O2 — CID 25118551

IUPAC2-(3,5-difluorophenyl)-N-[2-(dimethylamino)-6-fluoro-4-oxoquinazolin-3-yl]acetamide
SMILESCN(C)c1nc2ccc(F)cc2c(=O)n1NC(=O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C18H15F3N4O2/c1-24(2)18-22-15-4-3-11(19)9-14(15)17(27)25(18)23-16(26)7-10-5-12(20)8-13(21)6-10/h3-6,8-9H,7H2,1-2H3,(H,23,26)
InChIKeyRKYLIIWANMHYPV-UHFFFAOYSA-N
MW376.34 g/mol
LogP2.19
Rot. Bonds4

About 2-(3,5-difluorophenyl)-N-[2-(dimethylamino)-6-fluoro-4-oxoquinazolin-3-yl]acetamide

2-(3,5-difluorophenyl)-N-[2-(dimethylamino)-6-fluoro-4-oxoquinazolin-3-yl]acetamide (PubChem CID 25118551) has the molecular formula C18H15F3N4O2 and a molecular weight of 376.34 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-N-[2-(dimethylamino)-6-fluoro-4-oxoquinazolin-3-yl]acetamide.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-N-[2-(dimethylamino)-6-fluoro-4-oxoquinazolin-3-yl]acetamide
PubChem CID25118551
Molecular FormulaC18H15F3N4O2
Molecular Weight376.34 g/mol
Exact Mass376.11
IUPAC Name2-(3,5-difluorophenyl)-N-[2-(dimethylamino)-6-fluoro-4-oxoquinazolin-3-yl]acetamide
SMILESCN(C)c1nc2ccc(F)cc2c(=O)n1NC(=O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C18H15F3N4O2/c1-24(2)18-22-15-4-3-11(19)9-14(15)17(27)25(18)23-16(26)7-10-5-12(20)8-13(21)6-10/h3-6,8-9H,7H2,1-2H3,(H,23,26)
InChIKeyRKYLIIWANMHYPV-UHFFFAOYSA-N
XLogP2.19
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-N-[2-(dimethylamino)-6-fluoro-4-oxoquinazolin-3-yl]acetamide?
The IUPAC name of 2-(3,5-difluorophenyl)-N-[2-(dimethylamino)-6-fluoro-4-oxoquinazolin-3-yl]acetamide (CID 25118551) is 2-(3,5-difluorophenyl)-N-[2-(dimethylamino)-6-fluoro-4-oxoquinazolin-3-yl]acetamide.
What is the SMILES notation for 2-(3,5-difluorophenyl)-N-[2-(dimethylamino)-6-fluoro-4-oxoquinazolin-3-yl]acetamide?
The canonical SMILES for 2-(3,5-difluorophenyl)-N-[2-(dimethylamino)-6-fluoro-4-oxoquinazolin-3-yl]acetamide is CN(C)c1nc2ccc(F)cc2c(=O)n1NC(=O)Cc1cc(F)cc(F)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-N-[2-(dimethylamino)-6-fluoro-4-oxoquinazolin-3-yl]acetamide?
The InChIKey is RKYLIIWANMHYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2/c1-24(2)18-22-15-4-3-11(19)9-14(15)17(27)25(18)23-16(26)7-10-5-12(20)8-13(21)6-10/h3-6,8-9H,7H2,1-2H3,(H,23,26).
What are the key properties of 2-(3,5-difluorophenyl)-N-[2-(dimethylamino)-6-fluoro-4-oxoquinazolin-3-yl]acetamide?
2-(3,5-difluorophenyl)-N-[2-(dimethylamino)-6-fluoro-4-oxoquinazolin-3-yl]acetamide has a molecular weight of 376.34 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-N-[2-(dimethylamino)-6-fluoro-4-oxoquinazolin-3-yl]acetamide is sourced from PubChem (CID 25118551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).