N-(2-chloro-4-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide

C17H14ClN3O2 — CID 7874794

IUPACN-(2-chloro-4-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2cnc3ccccc3c2=O)c(Cl)c1
InChIInChI=1S/C17H14ClN3O2/c1-11-6-7-15(13(18)8-11)20-16(22)9-21-10-19-14-5-3-2-4-12(14)17(21)23/h2-8,10H,9H2,1H3,(H,20,22)
InChIKeyLTOGDOZGDUZENL-UHFFFAOYSA-N
MW327.77 g/mol
LogP3.00
Rot. Bonds3

About N-(2-chloro-4-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide

N-(2-chloro-4-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 7874794) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID7874794
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC NameN-(2-chloro-4-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2cnc3ccccc3c2=O)c(Cl)c1
InChIInChI=1S/C17H14ClN3O2/c1-11-6-7-15(13(18)8-11)20-16(22)9-21-10-19-14-5-3-2-4-12(14)17(21)23/h2-8,10H,9H2,1H3,(H,20,22)
InChIKeyLTOGDOZGDUZENL-UHFFFAOYSA-N
XLogP3.00
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 853101
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2904511
N-(2-chloro-5-fluorophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 51363052
N-(3-chloro-2-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 21231739
N-(2-chloro-4-methylphenyl)-2-(6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)acetamide
CID 27373049
N-(2,5-dichlorophenyl)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide
CID 9440401
2-(7-chloro-4-oxoquinazolin-3-yl)-N-(2-chlorophenyl)acetamide
CID 4193609
N-(4,6-dimethylpyrimidin-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 155294773
N-(2-methylsulfanylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 4808995
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 3533504
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2701434
2-(6-methyl-4-oxoquinazolin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 55733182

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide (CID 7874794) is N-(2-chloro-4-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide is Cc1ccc(NC(=O)Cn2cnc3ccccc3c2=O)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is LTOGDOZGDUZENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c1-11-6-7-15(13(18)8-11)20-16(22)9-21-10-19-14-5-3-2-4-12(14)17(21)23/h2-8,10H,9H2,1H3,(H,20,22).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
N-(2-chloro-4-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 327.77 g/mol, XLogP of 3.00, 3 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-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 7874794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).