N-[2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenylacetamide

C24H23N3O4 — CID 18887257

IUPACN-[2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenylacetamide
SMILESCOc1ccc(C2Nc3ccccc3C(=O)N2NC(=O)Cc2ccccc2)cc1OC
InChIInChI=1S/C24H23N3O4/c1-30-20-13-12-17(15-21(20)31-2)23-25-19-11-7-6-10-18(19)24(29)27(23)26-22(28)14-16-8-4-3-5-9-16/h3-13,15,23,25H,14H2,1-2H3,(H,26,28)
InChIKeySSUOPTHMEJLTJB-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.54
Rot. Bonds6

About N-[2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenylacetamide

N-[2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenylacetamide (PubChem CID 18887257) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenylacetamide
PubChem CID18887257
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenylacetamide
SMILESCOc1ccc(C2Nc3ccccc3C(=O)N2NC(=O)Cc2ccccc2)cc1OC
InChIInChI=1S/C24H23N3O4/c1-30-20-13-12-17(15-21(20)31-2)23-25-19-11-7-6-10-18(19)24(29)27(23)26-22(28)14-16-8-4-3-5-9-16/h3-13,15,23,25H,14H2,1-2H3,(H,26,28)
InChIKeySSUOPTHMEJLTJB-UHFFFAOYSA-N
XLogP3.54
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenylacetamide
CID 18886967
(2R)-2-(4-bromophenoxy)-N-[(2S)-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanamide
CID 98175383
N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)acetamide
CID 18887273
2-(3,4-dimethoxyphenyl)-3-oxido-1,2-dihydroquinazolin-4-one
CID 3415932
2-[3-methoxy-4-(3-phenylpropoxy)phenyl]-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one
CID 54779981
(2S)-3-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 31521568
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]-3-phenylpropanamide
CID 18887543
(2S)-3-[(2S)-butan-2-yl]-2-(3,4-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008031
N-ethyl-2-[2-methoxy-4-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
CID 9009141
N-(4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)-2-phenoxyacetamide
CID 18886893
3-bromo-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide
CID 71741088

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenylacetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenylacetamide (CID 18887257) is N-[2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenylacetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenylacetamide is COc1ccc(C2Nc3ccccc3C(=O)N2NC(=O)Cc2ccccc2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenylacetamide?
The InChIKey is SSUOPTHMEJLTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-30-20-13-12-17(15-21(20)31-2)23-25-19-11-7-6-10-18(19)24(29)27(23)26-22(28)14-16-8-4-3-5-9-16/h3-13,15,23,25H,14H2,1-2H3,(H,26,28).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenylacetamide?
N-[2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenylacetamide has a molecular weight of 417.47 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenylacetamide is sourced from PubChem (CID 18887257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).