N-[2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenoxyacetamide

C24H24N4O3 — CID 18887544

IUPACN-[2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenoxyacetamide
SMILESCN(C)c1ccc(C2Nc3ccccc3C(=O)N2NC(=O)COc2ccccc2)cc1
InChIInChI=1S/C24H24N4O3/c1-27(2)18-14-12-17(13-15-18)23-25-21-11-7-6-10-20(21)24(30)28(23)26-22(29)16-31-19-8-4-3-5-9-19/h3-15,23,25H,16H2,1-2H3,(H,26,29)
InChIKeyXVEZGUIDUXCFQD-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.43
Rot. Bonds6

About N-[2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenoxyacetamide

N-[2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenoxyacetamide (PubChem CID 18887544) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenoxyacetamide
PubChem CID18887544
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC NameN-[2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenoxyacetamide
SMILESCN(C)c1ccc(C2Nc3ccccc3C(=O)N2NC(=O)COc2ccccc2)cc1
InChIInChI=1S/C24H24N4O3/c1-27(2)18-14-12-17(13-15-18)23-25-21-11-7-6-10-20(21)24(30)28(23)26-22(29)16-31-19-8-4-3-5-9-19/h3-15,23,25H,16H2,1-2H3,(H,26,29)
InChIKeyXVEZGUIDUXCFQD-UHFFFAOYSA-N
XLogP3.43
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)-2-phenoxyacetamide
CID 18886893
N-[2-(4-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenoxyacetamide
CID 18887339
2-(4-methylphenoxy)-N-[2-(4-methylphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide
CID 18886992
N-[2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-3-phenylpropanamide
CID 18887543
N-(2-ethyl-4-oxo-1,2-dihydroquinazolin-3-yl)-2-phenoxyacetamide
CID 18887279
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-phenoxyacetamide
CID 18887039
N-(6-chloro-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)-2-(3-methylphenoxy)acetamide
CID 18887028
(2R)-2-[4-(dimethylamino)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one
CID 9009003
2-[4-(dimethylamino)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one
CID 42915079
2-[4-(dimethylamino)phenyl]-3-ethyl-1,2-dihydroquinazolin-4-one
CID 54778083
N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-chlorophenoxy)acetamide
CID 18887057

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenoxyacetamide?
The IUPAC name of N-[2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenoxyacetamide (CID 18887544) is N-[2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenoxyacetamide is CN(C)c1ccc(C2Nc3ccccc3C(=O)N2NC(=O)COc2ccccc2)cc1.
What is the InChIKey of N-[2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenoxyacetamide?
The InChIKey is XVEZGUIDUXCFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-27(2)18-14-12-17(13-15-18)23-25-21-11-7-6-10-20(21)24(30)28(23)26-22(29)16-31-19-8-4-3-5-9-19/h3-15,23,25H,16H2,1-2H3,(H,26,29).
What are the key properties of N-[2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenoxyacetamide?
N-[2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenoxyacetamide has a molecular weight of 416.48 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenoxyacetamide is sourced from PubChem (CID 18887544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).