2-(3,5-difluorophenyl)-N-(2-ethyl-4-oxoquinazolin-3-yl)acetamide

C18H15F2N3O2 — CID 70838580

IUPAC2-(3,5-difluorophenyl)-N-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
SMILESCCc1nc2ccccc2c(=O)n1NC(=O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C18H15F2N3O2/c1-2-16-21-15-6-4-3-5-14(15)18(25)23(16)22-17(24)9-11-7-12(19)10-13(20)8-11/h3-8,10H,2,9H2,1H3,(H,22,24)
InChIKeyANZFYJRGVXWFLB-UHFFFAOYSA-N
MW343.33 g/mol
LogP2.55
Rot. Bonds4

About 2-(3,5-difluorophenyl)-N-(2-ethyl-4-oxoquinazolin-3-yl)acetamide

2-(3,5-difluorophenyl)-N-(2-ethyl-4-oxoquinazolin-3-yl)acetamide (PubChem CID 70838580) has the molecular formula C18H15F2N3O2 and a molecular weight of 343.33 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-N-(2-ethyl-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-N-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
PubChem CID70838580
Molecular FormulaC18H15F2N3O2
Molecular Weight343.33 g/mol
Exact Mass343.11
IUPAC Name2-(3,5-difluorophenyl)-N-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
SMILESCCc1nc2ccccc2c(=O)n1NC(=O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C18H15F2N3O2/c1-2-16-21-15-6-4-3-5-14(15)18(25)23(16)22-17(24)9-11-7-12(19)10-13(20)8-11/h3-8,10H,2,9H2,1H3,(H,22,24)
InChIKeyANZFYJRGVXWFLB-UHFFFAOYSA-N
XLogP2.55
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(3-fluorophenyl)acetamide
CID 70838611
1-(2-ethyl-4-oxoquinazolin-3-yl)-3-[(4-fluorophenyl)methyl]urea
CID 70838560
2-cyclopentyl-N-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 24823326
N-[2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2-phenylacetamide
CID 70838498
N-[2-[2-(benzylamino)-2-oxoethyl]-4-oxoquinazolin-3-yl]-2-phenylacetamide
CID 10025480
(2-ethyl-4-oxoquinazolin-3-yl)thiourea
CID 12516860
N-[2-(diethylamino)-7-fluoro-4-oxoquinazolin-3-yl]-2-(3,5-difluorophenyl)acetamide
CID 25122821
2-(3,5-difluorophenyl)-N-[2-(dimethylamino)-6-fluoro-4-oxoquinazolin-3-yl]acetamide
CID 25118551
N-(2-ethyl-4-oxoquinazolin-3-yl)-2-phenylbutanamide
CID 12994903
N-(2-ethyl-4-oxoquinazolin-3-yl)cycloheptanecarboxamide
CID 24823328
N-(2-cyclohexyl-4-oxoquinazolin-3-yl)-2-(3-fluorophenyl)acetamide
CID 70838371
N-[2-(2,2-dimethylpropyl)-6,7-difluoro-4-oxoquinazolin-3-yl]-2-phenylacetamide
CID 70838391

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-N-(2-ethyl-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of 2-(3,5-difluorophenyl)-N-(2-ethyl-4-oxoquinazolin-3-yl)acetamide (CID 70838580) is 2-(3,5-difluorophenyl)-N-(2-ethyl-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for 2-(3,5-difluorophenyl)-N-(2-ethyl-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for 2-(3,5-difluorophenyl)-N-(2-ethyl-4-oxoquinazolin-3-yl)acetamide is CCc1nc2ccccc2c(=O)n1NC(=O)Cc1cc(F)cc(F)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-N-(2-ethyl-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is ANZFYJRGVXWFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O2/c1-2-16-21-15-6-4-3-5-14(15)18(25)23(16)22-17(24)9-11-7-12(19)10-13(20)8-11/h3-8,10H,2,9H2,1H3,(H,22,24).
What are the key properties of 2-(3,5-difluorophenyl)-N-(2-ethyl-4-oxoquinazolin-3-yl)acetamide?
2-(3,5-difluorophenyl)-N-(2-ethyl-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 343.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-N-(2-ethyl-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 70838580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).