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

C23H19Cl2N3O4 — CID 18887057

IUPACN-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-chlorophenoxy)acetamide
SMILESCOc1ccc(C2Nc3ccc(Cl)cc3C(=O)N2NC(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H19Cl2N3O4/c1-31-17-7-2-14(3-8-17)22-26-20-11-6-16(25)12-19(20)23(30)28(22)27-21(29)13-32-18-9-4-15(24)5-10-18/h2-12,22,26H,13H2,1H3,(H,27,29)
InChIKeyZNRWOSZIBWEVDK-UHFFFAOYSA-N
MW472.33 g/mol
LogP4.68
Rot. Bonds6

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

N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-chlorophenoxy)acetamide (PubChem CID 18887057) has the molecular formula C23H19Cl2N3O4 and a molecular weight of 472.33 g/mol. Its IUPAC name is N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-chlorophenoxy)acetamide
PubChem CID18887057
Molecular FormulaC23H19Cl2N3O4
Molecular Weight472.33 g/mol
Exact Mass471.08
IUPAC NameN-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-chlorophenoxy)acetamide
SMILESCOc1ccc(C2Nc3ccc(Cl)cc3C(=O)N2NC(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H19Cl2N3O4/c1-31-17-7-2-14(3-8-17)22-26-20-11-6-16(25)12-19(20)23(30)28(22)27-21(29)13-32-18-9-4-15(24)5-10-18/h2-12,22,26H,13H2,1H3,(H,27,29)
InChIKeyZNRWOSZIBWEVDK-UHFFFAOYSA-N
XLogP4.68
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.33
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-4-oxo-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-3-yl]-2-(4-methylphenoxy)acetamide
CID 18887147
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-phenoxyacetamide
CID 18887039
N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenylacetamide
CID 18886967
N-[6-bromo-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-methylphenoxy)acetamide
CID 18887465
N-(6-chloro-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)-2-(3-methylphenoxy)acetamide
CID 18887028
N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3,4,5-trimethoxybenzamide
CID 18887181
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-(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
N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-4-methoxybenzamide
CID 18887265

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-chlorophenoxy)acetamide (CID 18887057) is N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-chlorophenoxy)acetamide is COc1ccc(C2Nc3ccc(Cl)cc3C(=O)N2NC(=O)COc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-chlorophenoxy)acetamide?
The InChIKey is ZNRWOSZIBWEVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N3O4/c1-31-17-7-2-14(3-8-17)22-26-20-11-6-16(25)12-19(20)23(30)28(22)27-21(29)13-32-18-9-4-15(24)5-10-18/h2-12,22,26H,13H2,1H3,(H,27,29).
What are the key properties of N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-chlorophenoxy)acetamide?
N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-chlorophenoxy)acetamide has a molecular weight of 472.33 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 18887057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).