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

C23H19Cl2N3O4 — CID 18887035

IUPACN-[6-chloro-2-(4-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-chloro-2-methylphenoxy)acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NN1C(=O)c2cc(Cl)ccc2NC1c1ccc(O)cc1
InChIInChI=1S/C23H19Cl2N3O4/c1-13-10-15(24)5-9-20(13)32-12-21(30)27-28-22(14-2-6-17(29)7-3-14)26-19-8-4-16(25)11-18(19)23(28)31/h2-11,22,26,29H,12H2,1H3,(H,27,30)
InChIKeyGGCUNXRFWDUQNW-UHFFFAOYSA-N
MW472.33 g/mol
LogP4.68
Rot. Bonds5

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

N-[6-chloro-2-(4-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-chloro-2-methylphenoxy)acetamide (PubChem CID 18887035) has the molecular formula C23H19Cl2N3O4 and a molecular weight of 472.33 g/mol. Its IUPAC name is N-[6-chloro-2-(4-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-chloro-2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[6-chloro-2-(4-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-chloro-2-methylphenoxy)acetamide
PubChem CID18887035
Molecular FormulaC23H19Cl2N3O4
Molecular Weight472.33 g/mol
Exact Mass471.08
IUPAC NameN-[6-chloro-2-(4-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-chloro-2-methylphenoxy)acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NN1C(=O)c2cc(Cl)ccc2NC1c1ccc(O)cc1
InChIInChI=1S/C23H19Cl2N3O4/c1-13-10-15(24)5-9-20(13)32-12-21(30)27-28-22(14-2-6-17(29)7-3-14)26-19-8-4-16(25)11-18(19)23(28)31/h2-11,22,26,29H,12H2,1H3,(H,27,30)
InChIKeyGGCUNXRFWDUQNW-UHFFFAOYSA-N
XLogP4.68
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.33
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-chloro-2-(4-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenoxyacetamide
CID 18887039
N-[6-chloro-2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)acetamide
CID 18887047
N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)acetamide
CID 18887273
N-[6-chloro-4-oxo-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-3-yl]-2-(4-chlorophenoxy)acetamide
CID 18887151
N-[6-chloro-4-oxo-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-3-yl]-2-(4-methylphenoxy)acetamide
CID 18887147
N-(6-chloro-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)-2-(3-methylphenoxy)acetamide
CID 18887028
N-(6-chloro-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)-4-methylbenzamide
CID 18886863
2-(4-methylphenoxy)-N-[2-(4-methylphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide
CID 18886992
N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-4-methoxybenzamide
CID 18887265
4-bromo-N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide
CID 18887263
N-(4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)-2-phenoxyacetamide
CID 18886893
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide
CID 5186778

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-2-(4-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-chloro-2-methylphenoxy)acetamide?
The IUPAC name of N-[6-chloro-2-(4-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-chloro-2-methylphenoxy)acetamide (CID 18887035) is N-[6-chloro-2-(4-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-chloro-2-methylphenoxy)acetamide.
What is the SMILES notation for N-[6-chloro-2-(4-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-chloro-2-methylphenoxy)acetamide?
The canonical SMILES for N-[6-chloro-2-(4-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-chloro-2-methylphenoxy)acetamide is Cc1cc(Cl)ccc1OCC(=O)NN1C(=O)c2cc(Cl)ccc2NC1c1ccc(O)cc1.
What is the InChIKey of N-[6-chloro-2-(4-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-chloro-2-methylphenoxy)acetamide?
The InChIKey is GGCUNXRFWDUQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N3O4/c1-13-10-15(24)5-9-20(13)32-12-21(30)27-28-22(14-2-6-17(29)7-3-14)26-19-8-4-16(25)11-18(19)23(28)31/h2-11,22,26,29H,12H2,1H3,(H,27,30).
What are the key properties of N-[6-chloro-2-(4-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-chloro-2-methylphenoxy)acetamide?
N-[6-chloro-2-(4-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-chloro-2-methylphenoxy)acetamide has a molecular weight of 472.33 g/mol, XLogP of 4.68, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-2-(4-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-chloro-2-methylphenoxy)acetamide is sourced from PubChem (CID 18887035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).