N-(3-chloro-2-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide

C23H18ClN3O2 — CID 8721712

IUPACN-(3-chloro-2-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)Cn1c(=O)nc(-c2ccccc2)c2ccccc21
InChIInChI=1S/C23H18ClN3O2/c1-15-18(24)11-7-12-19(15)25-21(28)14-27-20-13-6-5-10-17(20)22(26-23(27)29)16-8-3-2-4-9-16/h2-13H,14H2,1H3,(H,25,28)
InChIKeyDCKOEABOVBRBNJ-UHFFFAOYSA-N
MW403.87 g/mol
LogP4.66
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide

N-(3-chloro-2-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide (PubChem CID 8721712) has the molecular formula C23H18ClN3O2 and a molecular weight of 403.87 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
PubChem CID8721712
Molecular FormulaC23H18ClN3O2
Molecular Weight403.87 g/mol
Exact Mass403.11
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)Cn1c(=O)nc(-c2ccccc2)c2ccccc21
InChIInChI=1S/C23H18ClN3O2/c1-15-18(24)11-7-12-19(15)25-21(28)14-27-20-13-6-5-10-17(20)22(26-23(27)29)16-8-3-2-4-9-16/h2-13H,14H2,1H3,(H,25,28)
InChIKeyDCKOEABOVBRBNJ-UHFFFAOYSA-N
XLogP4.66
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 8721690
N-(2-chloro-4-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 46346696
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
N-(3-chloro-2-methylphenyl)-2-[4-(cyclopentylamino)-2-oxoquinazolin-1-yl]acetamide
CID 56685655
N-(2-chloro-4-methylphenyl)-2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 46506830
N-[(3,4-dimethylphenyl)methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 46346770
N-(3-chloro-2-methylphenyl)-2-(3-methylindazol-1-yl)acetamide
CID 22509830
N-(3-chloro-2-methylphenyl)-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 46860994
N-(3-chloro-2-methylphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195248
N-(3-chloro-2-methylphenyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide
CID 108794883
N-[[4-(dimethylamino)phenyl]methyl]-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 46346777

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide (CID 8721712) is N-(3-chloro-2-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide is Cc1c(Cl)cccc1NC(=O)Cn1c(=O)nc(-c2ccccc2)c2ccccc21.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide?
The InChIKey is DCKOEABOVBRBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O2/c1-15-18(24)11-7-12-19(15)25-21(28)14-27-20-13-6-5-10-17(20)22(26-23(27)29)16-8-3-2-4-9-16/h2-13H,14H2,1H3,(H,25,28).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide?
N-(3-chloro-2-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide has a molecular weight of 403.87 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide is sourced from PubChem (CID 8721712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).