N-(2-chloro-4-methylphenyl)-2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)acetamide

C23H17Cl2N3O2 — CID 46506830

IUPACN-(2-chloro-4-methylphenyl)-2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3cc(Cl)ccc32)c(Cl)c1
InChIInChI=1S/C23H17Cl2N3O2/c1-14-7-9-19(18(25)11-14)26-21(29)13-28-20-10-8-16(24)12-17(20)22(27-23(28)30)15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,26,29)
InChIKeyMPAAQOBNDDGQOT-UHFFFAOYSA-N
MW438.31 g/mol
LogP5.32
Rot. Bonds4

About N-(2-chloro-4-methylphenyl)-2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)acetamide

N-(2-chloro-4-methylphenyl)-2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)acetamide (PubChem CID 46506830) has the molecular formula C23H17Cl2N3O2 and a molecular weight of 438.31 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)acetamide
PubChem CID46506830
Molecular FormulaC23H17Cl2N3O2
Molecular Weight438.31 g/mol
Exact Mass437.07
IUPAC NameN-(2-chloro-4-methylphenyl)-2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3cc(Cl)ccc32)c(Cl)c1
InChIInChI=1S/C23H17Cl2N3O2/c1-14-7-9-19(18(25)11-14)26-21(29)13-28-20-10-8-16(24)12-17(20)22(27-23(28)30)15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,26,29)
InChIKeyMPAAQOBNDDGQOT-UHFFFAOYSA-N
XLogP5.32
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.31
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 46346696
2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)acetic acid
CID 45030979
2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 16875842
N-(2-chlorophenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 8721690
N-(3-chloro-2-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 8721712
N-(4-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 8721687
N-(3-chlorophenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 8721691
6-chloro-1-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]-4-phenylquinazolin-2-one
CID 46346805
2-[6-chloro-4-(2-fluorophenyl)-2-oxoquinazolin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 20963097
N-(2-chloro-4-methylphenyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]acetamide
CID 51368511
2-[6-chloro-4-(2-fluorophenyl)-2-oxoquinazolin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 16875859
N-(2-fluoro-4-methylphenyl)-2-[4-(N-methylanilino)-2-oxoquinazolin-1-yl]acetamide
CID 50834598

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)acetamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)acetamide (CID 46506830) is N-(2-chloro-4-methylphenyl)-2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)acetamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)acetamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)acetamide is Cc1ccc(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3cc(Cl)ccc32)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)acetamide?
The InChIKey is MPAAQOBNDDGQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2N3O2/c1-14-7-9-19(18(25)11-14)26-21(29)13-28-20-10-8-16(24)12-17(20)22(27-23(28)30)15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,26,29).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)acetamide?
N-(2-chloro-4-methylphenyl)-2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)acetamide has a molecular weight of 438.31 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)acetamide is sourced from PubChem (CID 46506830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).