2-[6-chloro-4-(2-fluorophenyl)-2-oxoquinazolin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide

C25H21ClFN3O2 — CID 20963097

IUPAC2-[6-chloro-4-(2-fluorophenyl)-2-oxoquinazolin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)Cn2c(=O)nc(-c3ccccc3F)c3cc(Cl)ccc32)c(C)c1
InChIInChI=1S/C25H21ClFN3O2/c1-14-10-15(2)23(16(3)11-14)28-22(31)13-30-21-9-8-17(26)12-19(21)24(29-25(30)32)18-6-4-5-7-20(18)27/h4-12H,13H2,1-3H3,(H,28,31)
InChIKeyLKJCANLRJZZOSH-UHFFFAOYSA-N
MW449.91 g/mol
LogP5.42
Rot. Bonds4

About 2-[6-chloro-4-(2-fluorophenyl)-2-oxoquinazolin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide

2-[6-chloro-4-(2-fluorophenyl)-2-oxoquinazolin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 20963097) has the molecular formula C25H21ClFN3O2 and a molecular weight of 449.91 g/mol. Its IUPAC name is 2-[6-chloro-4-(2-fluorophenyl)-2-oxoquinazolin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[6-chloro-4-(2-fluorophenyl)-2-oxoquinazolin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID20963097
Molecular FormulaC25H21ClFN3O2
Molecular Weight449.91 g/mol
Exact Mass449.13
IUPAC Name2-[6-chloro-4-(2-fluorophenyl)-2-oxoquinazolin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)Cn2c(=O)nc(-c3ccccc3F)c3cc(Cl)ccc32)c(C)c1
InChIInChI=1S/C25H21ClFN3O2/c1-14-10-15(2)23(16(3)11-14)28-22(31)13-30-21-9-8-17(26)12-19(21)24(29-25(30)32)18-6-4-5-7-20(18)27/h4-12H,13H2,1-3H3,(H,28,31)
InChIKeyLKJCANLRJZZOSH-UHFFFAOYSA-N
XLogP5.42
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.91
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-chloro-4-(2-fluorophenyl)-2-oxoquinazolin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 16875859
N-(2-chloro-4-methylphenyl)-2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 46506830
2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 16875842
2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)acetic acid
CID 45030979
N-(2-chloro-4,6-dimethylphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
CID 113201725
2-(2-chloro-9-oxoacridin-10-yl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 6615384
N-(3-chlorophenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 8721691
N-(2-chloro-4-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 46346696
(2S)-2-[6-chloro-9-[2-(2,6-dimethylanilino)-2-oxoethyl]carbazol-2-yl]propanoic acid
CID 155808064
7-chloro-5-(2-fluorophenyl)-1-methylimidazo[1,5-a]quinazoline
CID 86086216
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 17033143
N-(4-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 8721687

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-4-(2-fluorophenyl)-2-oxoquinazolin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[6-chloro-4-(2-fluorophenyl)-2-oxoquinazolin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide (CID 20963097) is 2-[6-chloro-4-(2-fluorophenyl)-2-oxoquinazolin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[6-chloro-4-(2-fluorophenyl)-2-oxoquinazolin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[6-chloro-4-(2-fluorophenyl)-2-oxoquinazolin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)Cn2c(=O)nc(-c3ccccc3F)c3cc(Cl)ccc32)c(C)c1.
What is the InChIKey of 2-[6-chloro-4-(2-fluorophenyl)-2-oxoquinazolin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is LKJCANLRJZZOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClFN3O2/c1-14-10-15(2)23(16(3)11-14)28-22(31)13-30-21-9-8-17(26)12-19(21)24(29-25(30)32)18-6-4-5-7-20(18)27/h4-12H,13H2,1-3H3,(H,28,31).
What are the key properties of 2-[6-chloro-4-(2-fluorophenyl)-2-oxoquinazolin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
2-[6-chloro-4-(2-fluorophenyl)-2-oxoquinazolin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 449.91 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-4-(2-fluorophenyl)-2-oxoquinazolin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 20963097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).