N-[2-(diethylamino)-7-fluoro-4-oxoquinazolin-3-yl]-2-(3,5-difluorophenyl)acetamide

C20H19F3N4O2 — CID 25122821

IUPACN-[2-(diethylamino)-7-fluoro-4-oxoquinazolin-3-yl]-2-(3,5-difluorophenyl)acetamide
SMILESCCN(CC)c1nc2cc(F)ccc2c(=O)n1NC(=O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C20H19F3N4O2/c1-3-26(4-2)20-24-17-11-13(21)5-6-16(17)19(29)27(20)25-18(28)9-12-7-14(22)10-15(23)8-12/h5-8,10-11H,3-4,9H2,1-2H3,(H,25,28)
InChIKeyXZRNPYNXGOXOOX-UHFFFAOYSA-N
MW404.39 g/mol
LogP2.97
Rot. Bonds6

About N-[2-(diethylamino)-7-fluoro-4-oxoquinazolin-3-yl]-2-(3,5-difluorophenyl)acetamide

N-[2-(diethylamino)-7-fluoro-4-oxoquinazolin-3-yl]-2-(3,5-difluorophenyl)acetamide (PubChem CID 25122821) has the molecular formula C20H19F3N4O2 and a molecular weight of 404.39 g/mol. Its IUPAC name is N-[2-(diethylamino)-7-fluoro-4-oxoquinazolin-3-yl]-2-(3,5-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-7-fluoro-4-oxoquinazolin-3-yl]-2-(3,5-difluorophenyl)acetamide
PubChem CID25122821
Molecular FormulaC20H19F3N4O2
Molecular Weight404.39 g/mol
Exact Mass404.15
IUPAC NameN-[2-(diethylamino)-7-fluoro-4-oxoquinazolin-3-yl]-2-(3,5-difluorophenyl)acetamide
SMILESCCN(CC)c1nc2cc(F)ccc2c(=O)n1NC(=O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C20H19F3N4O2/c1-3-26(4-2)20-24-17-11-13(21)5-6-16(17)19(29)27(20)25-18(28)9-12-7-14(22)10-15(23)8-12/h5-8,10-11H,3-4,9H2,1-2H3,(H,25,28)
InChIKeyXZRNPYNXGOXOOX-UHFFFAOYSA-N
XLogP2.97
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(diethylamino)-5-fluoro-4-oxoquinazolin-3-yl]-2-(3,5-difluorophenyl)acetamide
CID 25122822
2-(3,5-difluorophenyl)-N-[2-(dimethylamino)-6-fluoro-4-oxoquinazolin-3-yl]acetamide
CID 25118551
N-[5-chloro-2-(diethylamino)-4-oxoquinazolin-3-yl]-2-(3,5-difluorophenyl)acetamide
CID 25122820
N-[2-[ethyl(methyl)amino]-7-fluoro-4-oxoquinazolin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 25119978
N-(2-cyclopropyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(3,5-difluorophenyl)acetamide
CID 71197546
N-(2-ethyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(3-fluorophenyl)acetamide
CID 70838611
2-(3,5-difluorophenyl)-N-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 70838580
N-[7-fluoro-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]-2-phenylacetamide
CID 70838791
N-[2-cyclopropyl-4-oxo-7-(trifluoromethyl)quinazolin-3-yl]-2-(3,5-difluorophenyl)acetamide
CID 11281665
N-[2-(cyclopropylmethyl)-7-fluoro-4-oxoquinazolin-3-yl]-2-phenylacetamide
CID 70838398
N-[5,7-difluoro-2-[methyl(propan-2-yl)amino]-4-oxoquinazolin-3-yl]-2-(3,4-difluorophenyl)acetamide
CID 25119974
N-[7-fluoro-4-oxo-2-(2,2,2-trifluoroethyl)quinazolin-3-yl]-3-(3-fluorophenyl)propanamide
CID 70838736

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-7-fluoro-4-oxoquinazolin-3-yl]-2-(3,5-difluorophenyl)acetamide?
The IUPAC name of N-[2-(diethylamino)-7-fluoro-4-oxoquinazolin-3-yl]-2-(3,5-difluorophenyl)acetamide (CID 25122821) is N-[2-(diethylamino)-7-fluoro-4-oxoquinazolin-3-yl]-2-(3,5-difluorophenyl)acetamide.
What is the SMILES notation for N-[2-(diethylamino)-7-fluoro-4-oxoquinazolin-3-yl]-2-(3,5-difluorophenyl)acetamide?
The canonical SMILES for N-[2-(diethylamino)-7-fluoro-4-oxoquinazolin-3-yl]-2-(3,5-difluorophenyl)acetamide is CCN(CC)c1nc2cc(F)ccc2c(=O)n1NC(=O)Cc1cc(F)cc(F)c1.
What is the InChIKey of N-[2-(diethylamino)-7-fluoro-4-oxoquinazolin-3-yl]-2-(3,5-difluorophenyl)acetamide?
The InChIKey is XZRNPYNXGOXOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2/c1-3-26(4-2)20-24-17-11-13(21)5-6-16(17)19(29)27(20)25-18(28)9-12-7-14(22)10-15(23)8-12/h5-8,10-11H,3-4,9H2,1-2H3,(H,25,28).
What are the key properties of N-[2-(diethylamino)-7-fluoro-4-oxoquinazolin-3-yl]-2-(3,5-difluorophenyl)acetamide?
N-[2-(diethylamino)-7-fluoro-4-oxoquinazolin-3-yl]-2-(3,5-difluorophenyl)acetamide has a molecular weight of 404.39 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-7-fluoro-4-oxoquinazolin-3-yl]-2-(3,5-difluorophenyl)acetamide is sourced from PubChem (CID 25122821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).