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

C23H20ClN3O3 — CID 18887028

IUPACN-(6-chloro-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NN2C(=O)c3cc(Cl)ccc3NC2c2ccccc2)c1
InChIInChI=1S/C23H20ClN3O3/c1-15-6-5-9-18(12-15)30-14-21(28)26-27-22(16-7-3-2-4-8-16)25-20-11-10-17(24)13-19(20)23(27)29/h2-13,22,25H,14H2,1H3,(H,26,28)
InChIKeyHGFQUUBUAUCAAU-UHFFFAOYSA-N
MW421.88 g/mol
LogP4.33
Rot. Bonds5

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

N-(6-chloro-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)-2-(3-methylphenoxy)acetamide (PubChem CID 18887028) has the molecular formula C23H20ClN3O3 and a molecular weight of 421.88 g/mol. Its IUPAC name is N-(6-chloro-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(6-chloro-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)-2-(3-methylphenoxy)acetamide
PubChem CID18887028
Molecular FormulaC23H20ClN3O3
Molecular Weight421.88 g/mol
Exact Mass421.12
IUPAC NameN-(6-chloro-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NN2C(=O)c3cc(Cl)ccc3NC2c2ccccc2)c1
InChIInChI=1S/C23H20ClN3O3/c1-15-6-5-9-18(12-15)30-14-21(28)26-27-22(16-7-3-2-4-8-16)25-20-11-10-17(24)13-19(20)23(27)29/h2-13,22,25H,14H2,1H3,(H,26,28)
InChIKeyHGFQUUBUAUCAAU-UHFFFAOYSA-N
XLogP4.33
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.88
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-4-oxo-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-3-yl]-2-(4-methylphenoxy)acetamide
CID 18887147
N-[6-chloro-4-oxo-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-3-yl]-2-(4-chlorophenoxy)acetamide
CID 18887151
N-(4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)-2-phenoxyacetamide
CID 18886893
N-[6-chloro-2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)acetamide
CID 18887047
N-[6-chloro-2-(4-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 18887035
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]-2-(2-methylphenoxy)acetamide
CID 18887273
N-[6-chloro-2-(4-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenylacetamide
CID 18887081
N-[2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenoxyacetamide
CID 18887544
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-phenyl-1,2-dihydroquinazolin-3-yl)-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-(6-chloro-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)-2-(3-methylphenoxy)acetamide (CID 18887028) is N-(6-chloro-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-(6-chloro-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-(6-chloro-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)NN2C(=O)c3cc(Cl)ccc3NC2c2ccccc2)c1.
What is the InChIKey of N-(6-chloro-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)-2-(3-methylphenoxy)acetamide?
The InChIKey is HGFQUUBUAUCAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O3/c1-15-6-5-9-18(12-15)30-14-21(28)26-27-22(16-7-3-2-4-8-16)25-20-11-10-17(24)13-19(20)23(27)29/h2-13,22,25H,14H2,1H3,(H,26,28).
What are the key properties of N-(6-chloro-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)-2-(3-methylphenoxy)acetamide?
N-(6-chloro-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)-2-(3-methylphenoxy)acetamide has a molecular weight of 421.88 g/mol, XLogP of 4.33, 5 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-phenyl-1,2-dihydroquinazolin-3-yl)-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 18887028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).