3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-7-fluoroquinazolin-4-one

C18H15FN2O2 — CID 40743761

IUPAC3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-7-fluoroquinazolin-4-one
SMILESCc1ccc(C(=O)Cn2cnc3cc(F)ccc3c2=O)c(C)c1
InChIInChI=1S/C18H15FN2O2/c1-11-3-5-14(12(2)7-11)17(22)9-21-10-20-16-8-13(19)4-6-15(16)18(21)23/h3-8,10H,9H2,1-2H3
InChIKeyOFPCANFWXZRTNU-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.04
Rot. Bonds3

About 3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-7-fluoroquinazolin-4-one

3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-7-fluoroquinazolin-4-one (PubChem CID 40743761) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is 3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-7-fluoroquinazolin-4-one.

Molecular Properties

Compound Name3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-7-fluoroquinazolin-4-one
PubChem CID40743761
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Name3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-7-fluoroquinazolin-4-one
SMILESCc1ccc(C(=O)Cn2cnc3cc(F)ccc3c2=O)c(C)c1
InChIInChI=1S/C18H15FN2O2/c1-11-3-5-14(12(2)7-11)17(22)9-21-10-20-16-8-13(19)4-6-15(16)18(21)23/h3-8,10H,9H2,1-2H3
InChIKeyOFPCANFWXZRTNU-UHFFFAOYSA-N
XLogP3.04
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-fluoro-3-[2-(2-methoxy-5-methylphenyl)-2-oxoethyl]quinazolin-4-one
CID 47088424
6-bromo-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one
CID 7488393
3-[2-(2,5-diethylphenyl)-2-oxoethyl]-7-fluoroquinazolin-4-one
CID 40743883
3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-6-methylquinazolin-4-one
CID 46484257
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(4-methylphenyl)acetamide
CID 40743532
7-fluoro-3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]quinazolin-4-one
CID 51259521
7-fluoro-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 40743657
3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-7-fluoroquinazolin-4-one
CID 40743890
N-(2,3-dimethylphenyl)-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 40743513
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 17458089
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(4-iodo-2-methylphenyl)acetamide
CID 27075653
3-(2-hydroxyethyl)-7-methylquinazolin-4-one
CID 117264165

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-7-fluoroquinazolin-4-one?
The IUPAC name of 3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-7-fluoroquinazolin-4-one (CID 40743761) is 3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-7-fluoroquinazolin-4-one.
What is the SMILES notation for 3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-7-fluoroquinazolin-4-one?
The canonical SMILES for 3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-7-fluoroquinazolin-4-one is Cc1ccc(C(=O)Cn2cnc3cc(F)ccc3c2=O)c(C)c1.
What is the InChIKey of 3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-7-fluoroquinazolin-4-one?
The InChIKey is OFPCANFWXZRTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-11-3-5-14(12(2)7-11)17(22)9-21-10-20-16-8-13(19)4-6-15(16)18(21)23/h3-8,10H,9H2,1-2H3.
What are the key properties of 3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-7-fluoroquinazolin-4-one?
3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-7-fluoroquinazolin-4-one has a molecular weight of 310.33 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-7-fluoroquinazolin-4-one is sourced from PubChem (CID 40743761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).