N-(3-chlorophenyl)-2-(6,7-dimethoxy-2,4-dioxo-3-phenyl-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl)acetamide

C24H26ClN3O5 — CID 73373238

IUPACN-(3-chlorophenyl)-2-(6,7-dimethoxy-2,4-dioxo-3-phenyl-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl)acetamide
SMILESCOC1CC2C(=O)N(c3ccccc3)C(=O)N(CC(=O)Nc3cccc(Cl)c3)C2CC1OC
InChIInChI=1S/C24H26ClN3O5/c1-32-20-12-18-19(13-21(20)33-2)27(14-22(29)26-16-8-6-7-15(25)11-16)24(31)28(23(18)30)17-9-4-3-5-10-17/h3-11,18-21H,12-14H2,1-2H3,(H,26,29)
InChIKeyUNBWLAIHXHEPAC-UHFFFAOYSA-N
MW471.94 g/mol
LogP3.56
Rot. Bonds6

About N-(3-chlorophenyl)-2-(6,7-dimethoxy-2,4-dioxo-3-phenyl-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl)acetamide

N-(3-chlorophenyl)-2-(6,7-dimethoxy-2,4-dioxo-3-phenyl-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl)acetamide (PubChem CID 73373238) has the molecular formula C24H26ClN3O5 and a molecular weight of 471.94 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(6,7-dimethoxy-2,4-dioxo-3-phenyl-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(6,7-dimethoxy-2,4-dioxo-3-phenyl-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl)acetamide
PubChem CID73373238
Molecular FormulaC24H26ClN3O5
Molecular Weight471.94 g/mol
Exact Mass471.16
IUPAC NameN-(3-chlorophenyl)-2-(6,7-dimethoxy-2,4-dioxo-3-phenyl-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl)acetamide
SMILESCOC1CC2C(=O)N(c3ccccc3)C(=O)N(CC(=O)Nc3cccc(Cl)c3)C2CC1OC
InChIInChI=1S/C24H26ClN3O5/c1-32-20-12-18-19(13-21(20)33-2)27(14-22(29)26-16-8-6-7-15(25)11-16)24(31)28(23(18)30)17-9-4-3-5-10-17/h3-11,18-21H,12-14H2,1-2H3,(H,26,29)
InChIKeyUNBWLAIHXHEPAC-UHFFFAOYSA-N
XLogP3.56
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.94
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-chlorophenyl)-1-[(4-chlorophenyl)methyl]-6,7-dimethoxy-4a,5,6,7,8,8a-hexahydroquinazoline-2,4-dione
CID 73374212
2-[3-(3-chlorophenyl)-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 73370475
2-(2,4-dioxo-3-phenyl-4a,5a,6,7,8,9,9a,9b-octahydro-[1]benzofuro[3,2-d]pyrimidin-1-yl)-N-(3-methoxyphenyl)acetamide
CID 73202173
N-(3-chlorophenyl)-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide
CID 23310387
2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(3-chlorophenyl)acetamide
CID 7733866
2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(3-chlorophenyl)acetamide
CID 2708286
2-[(4S)-3-[(2-acetamidoacetyl)amino]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(3-chlorophenyl)acetamide
CID 25305618
N-(3-chlorophenyl)-2-[(1R,2S,6S,7R,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]acetamide
CID 98260581
2-(3-benzyl-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl)-N-(3-methoxyphenyl)acetamide
CID 156589849
2-[3-(3-chlorophenyl)-2,4-dioxo-4a,7a-dihydrothieno[3,2-d]pyrimidin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 75285231
N-(3-fluorophenyl)-2-[(4R)-3-(2-methoxyethyl)-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide
CID 7340940
2-[1-(3-chlorophenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide
CID 19584942

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(6,7-dimethoxy-2,4-dioxo-3-phenyl-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl)acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(6,7-dimethoxy-2,4-dioxo-3-phenyl-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl)acetamide (CID 73373238) is N-(3-chlorophenyl)-2-(6,7-dimethoxy-2,4-dioxo-3-phenyl-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(6,7-dimethoxy-2,4-dioxo-3-phenyl-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(6,7-dimethoxy-2,4-dioxo-3-phenyl-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl)acetamide is COC1CC2C(=O)N(c3ccccc3)C(=O)N(CC(=O)Nc3cccc(Cl)c3)C2CC1OC.
What is the InChIKey of N-(3-chlorophenyl)-2-(6,7-dimethoxy-2,4-dioxo-3-phenyl-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl)acetamide?
The InChIKey is UNBWLAIHXHEPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O5/c1-32-20-12-18-19(13-21(20)33-2)27(14-22(29)26-16-8-6-7-15(25)11-16)24(31)28(23(18)30)17-9-4-3-5-10-17/h3-11,18-21H,12-14H2,1-2H3,(H,26,29).
What are the key properties of N-(3-chlorophenyl)-2-(6,7-dimethoxy-2,4-dioxo-3-phenyl-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl)acetamide?
N-(3-chlorophenyl)-2-(6,7-dimethoxy-2,4-dioxo-3-phenyl-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl)acetamide has a molecular weight of 471.94 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(6,7-dimethoxy-2,4-dioxo-3-phenyl-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl)acetamide is sourced from PubChem (CID 73373238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).