N-[6-chloro-4-oxo-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-3-yl]-2-(4-methylphenoxy)acetamide

C26H26ClN3O3 — CID 18887147

IUPACN-[6-chloro-4-oxo-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-3-yl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NN2C(=O)c3cc(Cl)ccc3NC2c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C26H26ClN3O3/c1-16(2)18-6-8-19(9-7-18)25-28-23-13-10-20(27)14-22(23)26(32)30(25)29-24(31)15-33-21-11-4-17(3)5-12-21/h4-14,16,25,28H,15H2,1-3H3,(H,29,31)
InChIKeyFKNZNIDOMMOUQI-UHFFFAOYSA-N
MW463.97 g/mol
LogP5.45
Rot. Bonds6

About N-[6-chloro-4-oxo-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-3-yl]-2-(4-methylphenoxy)acetamide

N-[6-chloro-4-oxo-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-3-yl]-2-(4-methylphenoxy)acetamide (PubChem CID 18887147) has the molecular formula C26H26ClN3O3 and a molecular weight of 463.97 g/mol. Its IUPAC name is N-[6-chloro-4-oxo-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-3-yl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[6-chloro-4-oxo-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-3-yl]-2-(4-methylphenoxy)acetamide
PubChem CID18887147
Molecular FormulaC26H26ClN3O3
Molecular Weight463.97 g/mol
Exact Mass463.17
IUPAC NameN-[6-chloro-4-oxo-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-3-yl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NN2C(=O)c3cc(Cl)ccc3NC2c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C26H26ClN3O3/c1-16(2)18-6-8-19(9-7-18)25-28-23-13-10-20(27)14-22(23)26(32)30(25)29-24(31)15-33-21-11-4-17(3)5-12-21/h4-14,16,25,28H,15H2,1-3H3,(H,29,31)
InChIKeyFKNZNIDOMMOUQI-UHFFFAOYSA-N
XLogP5.45
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.97
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-chloro-4-oxo-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-3-yl]-2-(4-chlorophenoxy)acetamide
CID 18887151
N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-chlorophenoxy)acetamide
CID 18887057
N-(6-chloro-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)-2-(3-methylphenoxy)acetamide
CID 18887028
N-[6-chloro-2-(4-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenoxyacetamide
CID 18887039
2-(4-methylphenoxy)-N-[2-(4-methylphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide
CID 18886992
N-[6-bromo-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-methylphenoxy)acetamide
CID 18887465
2-(4-bromophenoxy)-N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide
CID 18887275
N-[6-chloro-2-(4-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 18887035
N-[6-chloro-2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)acetamide
CID 18887047
N-(6-chloro-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)-4-methylbenzamide
CID 18886863
N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)acetamide
CID 18887273
N-(6-bromo-2-methyl-4-oxo-1,2-dihydroquinazolin-3-yl)-2-(4-chlorophenoxy)acetamide
CID 18887355

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-4-oxo-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-3-yl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[6-chloro-4-oxo-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-3-yl]-2-(4-methylphenoxy)acetamide (CID 18887147) is N-[6-chloro-4-oxo-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-3-yl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[6-chloro-4-oxo-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-3-yl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[6-chloro-4-oxo-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-3-yl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)NN2C(=O)c3cc(Cl)ccc3NC2c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of N-[6-chloro-4-oxo-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-3-yl]-2-(4-methylphenoxy)acetamide?
The InChIKey is FKNZNIDOMMOUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O3/c1-16(2)18-6-8-19(9-7-18)25-28-23-13-10-20(27)14-22(23)26(32)30(25)29-24(31)15-33-21-11-4-17(3)5-12-21/h4-14,16,25,28H,15H2,1-3H3,(H,29,31).
What are the key properties of N-[6-chloro-4-oxo-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-3-yl]-2-(4-methylphenoxy)acetamide?
N-[6-chloro-4-oxo-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-3-yl]-2-(4-methylphenoxy)acetamide has a molecular weight of 463.97 g/mol, XLogP of 5.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-4-oxo-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-3-yl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 18887147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).