N-(3,4-dichlorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylbutanamide

C24H19Cl2N3O2S — CID 23801475

IUPACN-(3,4-dichlorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylbutanamide
SMILESCCC(Sc1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H19Cl2N3O2S/c1-2-21(22(30)27-15-12-13-18(25)19(26)14-15)32-24-28-20-11-7-6-10-17(20)23(31)29(24)16-8-4-3-5-9-16/h3-14,21H,2H2,1H3,(H,27,30)
InChIKeyUZVZUDDPWQUPGS-UHFFFAOYSA-N
MW484.41 g/mol
LogP6.20
Rot. Bonds6

About N-(3,4-dichlorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylbutanamide

N-(3,4-dichlorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylbutanamide (PubChem CID 23801475) has the molecular formula C24H19Cl2N3O2S and a molecular weight of 484.41 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylbutanamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylbutanamide
PubChem CID23801475
Molecular FormulaC24H19Cl2N3O2S
Molecular Weight484.41 g/mol
Exact Mass483.06
IUPAC NameN-(3,4-dichlorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylbutanamide
SMILESCCC(Sc1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H19Cl2N3O2S/c1-2-21(22(30)27-15-12-13-18(25)19(26)14-15)32-24-28-20-11-7-6-10-17(20)23(31)29(24)16-8-4-3-5-9-16/h3-14,21H,2H2,1H3,(H,27,30)
InChIKeyUZVZUDDPWQUPGS-UHFFFAOYSA-N
XLogP6.20
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.41
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylbutanoylamino]benzoate
CID 23772266
N-(2-fluorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylbutanamide
CID 23858589
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylbutanamide
CID 23998108
3-(3,4-dichlorophenyl)-2-(1-oxo-1-piperidin-1-ylbutan-2-yl)sulfanylquinazolin-4-one
CID 42736372
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methylphenyl)butanamide
CID 23743129
3-[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylbutanoylamino]benzoic acid
CID 23858595
(2R)-2-[3-(3,4-dichlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(ethylcarbamoyl)propanamide
CID 2615391
N-(2,4-dichlorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanamide
CID 4282090
N-(4-methylphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 16532216
(2S)-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethoxyphenyl)propanamide
CID 26517105
(2R)-N-(4-acetamidophenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 41498459
N-(3-chloro-4-methylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]butanamide
CID 136686169

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylbutanamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylbutanamide (CID 23801475) is N-(3,4-dichlorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylbutanamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylbutanamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylbutanamide is CCC(Sc1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylbutanamide?
The InChIKey is UZVZUDDPWQUPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2N3O2S/c1-2-21(22(30)27-15-12-13-18(25)19(26)14-15)32-24-28-20-11-7-6-10-17(20)23(31)29(24)16-8-4-3-5-9-16/h3-14,21H,2H2,1H3,(H,27,30).
What are the key properties of N-(3,4-dichlorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylbutanamide?
N-(3,4-dichlorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylbutanamide has a molecular weight of 484.41 g/mol, XLogP of 6.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylbutanamide is sourced from PubChem (CID 23801475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).