2-[6-chloro-4-(2-fluorophenyl)-2-oxoquinazolin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide

C23H16ClF2N3O2 — CID 16875859

IUPAC2-[6-chloro-4-(2-fluorophenyl)-2-oxoquinazolin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2c(=O)nc(-c3ccccc3F)c3cc(Cl)ccc32)cc1F
InChIInChI=1S/C23H16ClF2N3O2/c1-13-6-8-15(11-19(13)26)27-21(30)12-29-20-9-7-14(24)10-17(20)22(28-23(29)31)16-4-2-3-5-18(16)25/h2-11H,12H2,1H3,(H,27,30)
InChIKeyGOXJKXALFQTZMW-UHFFFAOYSA-N
MW439.85 g/mol
LogP4.94
Rot. Bonds4

About 2-[6-chloro-4-(2-fluorophenyl)-2-oxoquinazolin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide

2-[6-chloro-4-(2-fluorophenyl)-2-oxoquinazolin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide (PubChem CID 16875859) has the molecular formula C23H16ClF2N3O2 and a molecular weight of 439.85 g/mol. Its IUPAC name is 2-[6-chloro-4-(2-fluorophenyl)-2-oxoquinazolin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[6-chloro-4-(2-fluorophenyl)-2-oxoquinazolin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
PubChem CID16875859
Molecular FormulaC23H16ClF2N3O2
Molecular Weight439.85 g/mol
Exact Mass439.09
IUPAC Name2-[6-chloro-4-(2-fluorophenyl)-2-oxoquinazolin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2c(=O)nc(-c3ccccc3F)c3cc(Cl)ccc32)cc1F
InChIInChI=1S/C23H16ClF2N3O2/c1-13-6-8-15(11-19(13)26)27-21(30)12-29-20-9-7-14(24)10-17(20)22(28-23(29)31)16-4-2-3-5-18(16)25/h2-11H,12H2,1H3,(H,27,30)
InChIKeyGOXJKXALFQTZMW-UHFFFAOYSA-N
XLogP4.94
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.85
LogP ≤ 54.94
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-(2,4,6-trimethylphenyl)acetamide
CID 20963097
2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 16875842
N-(3-fluoro-4-methylphenyl)-2-[4-(3-methylbutylamino)-2-oxoquinazolin-1-yl]acetamide
CID 56685587
2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 46925452
N-(2-chloro-4-methylphenyl)-2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 46506830
N-(3-chlorophenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 8721691
2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)acetic acid
CID 45030979
N-(3-fluoro-4-methylphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide
CID 91887493
2-(2-ethyl-4-oxoquinazolin-3-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 45030818
2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 9420730
2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 46857126
2-(2-chloro-9-oxoacridin-10-yl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 6615384

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-4-(2-fluorophenyl)-2-oxoquinazolin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-[6-chloro-4-(2-fluorophenyl)-2-oxoquinazolin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide (CID 16875859) is 2-[6-chloro-4-(2-fluorophenyl)-2-oxoquinazolin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[6-chloro-4-(2-fluorophenyl)-2-oxoquinazolin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-[6-chloro-4-(2-fluorophenyl)-2-oxoquinazolin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cn2c(=O)nc(-c3ccccc3F)c3cc(Cl)ccc32)cc1F.
What is the InChIKey of 2-[6-chloro-4-(2-fluorophenyl)-2-oxoquinazolin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide?
The InChIKey is GOXJKXALFQTZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClF2N3O2/c1-13-6-8-15(11-19(13)26)27-21(30)12-29-20-9-7-14(24)10-17(20)22(28-23(29)31)16-4-2-3-5-18(16)25/h2-11H,12H2,1H3,(H,27,30).
What are the key properties of 2-[6-chloro-4-(2-fluorophenyl)-2-oxoquinazolin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide?
2-[6-chloro-4-(2-fluorophenyl)-2-oxoquinazolin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide has a molecular weight of 439.85 g/mol, XLogP of 4.94, 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-(3-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 16875859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).