N-(2,3-dimethylphenyl)-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide

C18H16FN3O2 — CID 40743513

IUPACN-(2,3-dimethylphenyl)-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide
SMILESCc1cccc(NC(=O)Cn2cnc3cc(F)ccc3c2=O)c1C
InChIInChI=1S/C18H16FN3O2/c1-11-4-3-5-15(12(11)2)21-17(23)9-22-10-20-16-8-13(19)6-7-14(16)18(22)24/h3-8,10H,9H2,1-2H3,(H,21,23)
InChIKeySJWLZAWDSRZIIY-UHFFFAOYSA-N
MW325.34 g/mol
LogP2.79
Rot. Bonds3

About N-(2,3-dimethylphenyl)-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide

N-(2,3-dimethylphenyl)-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide (PubChem CID 40743513) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide
PubChem CID40743513
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC NameN-(2,3-dimethylphenyl)-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide
SMILESCc1cccc(NC(=O)Cn2cnc3cc(F)ccc3c2=O)c1C
InChIInChI=1S/C18H16FN3O2/c1-11-4-3-5-15(12(11)2)21-17(23)9-22-10-20-16-8-13(19)6-7-14(16)18(22)24/h3-8,10H,9H2,1-2H3,(H,21,23)
InChIKeySJWLZAWDSRZIIY-UHFFFAOYSA-N
XLogP2.79
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(4-iodo-2-methylphenyl)acetamide
CID 27075653
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(4-methylphenyl)acetamide
CID 40743532
N-(2-ethylphenyl)-2-[[2-(7-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]acetamide
CID 40750672
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide
CID 24524251
2-[3-(2,4-difluorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(2,3-dimethylphenyl)acetamide
CID 7476293
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(3-methyl-2-pyridinyl)acetamide
CID 46581294
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 17458089
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2,3-dimethylphenyl)carbamoyl]acetamide
CID 27248647
N-(2-chloro-5-fluorophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 51363052
N-[(1R)-1-cyclopropylethyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 40750663
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 40743912
3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-7-fluoroquinazolin-4-one
CID 40743761

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide (CID 40743513) is N-(2,3-dimethylphenyl)-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide is Cc1cccc(NC(=O)Cn2cnc3cc(F)ccc3c2=O)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is SJWLZAWDSRZIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-11-4-3-5-15(12(11)2)21-17(23)9-22-10-20-16-8-13(19)6-7-14(16)18(22)24/h3-8,10H,9H2,1-2H3,(H,21,23).
What are the key properties of N-(2,3-dimethylphenyl)-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide?
N-(2,3-dimethylphenyl)-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 325.34 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 40743513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).