N-(2,3-dichlorophenyl)-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide

C25H21Cl2N3O2S — CID 23879743

IUPACN-(2,3-dichlorophenyl)-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
SMILESCCc1ccc(-n2c(SC(C)C(=O)Nc3cccc(Cl)c3Cl)nc3ccccc3c2=O)cc1
InChIInChI=1S/C25H21Cl2N3O2S/c1-3-16-11-13-17(14-12-16)30-24(32)18-7-4-5-9-20(18)29-25(30)33-15(2)23(31)28-21-10-6-8-19(26)22(21)27/h4-15H,3H2,1-2H3,(H,28,31)
InChIKeyWRLONWWIOCHHQR-UHFFFAOYSA-N
MW498.44 g/mol
LogP6.37
Rot. Bonds6

About N-(2,3-dichlorophenyl)-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide

N-(2,3-dichlorophenyl)-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide (PubChem CID 23879743) has the molecular formula C25H21Cl2N3O2S and a molecular weight of 498.44 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
PubChem CID23879743
Molecular FormulaC25H21Cl2N3O2S
Molecular Weight498.44 g/mol
Exact Mass497.07
IUPAC NameN-(2,3-dichlorophenyl)-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
SMILESCCc1ccc(-n2c(SC(C)C(=O)Nc3cccc(Cl)c3Cl)nc3ccccc3c2=O)cc1
InChIInChI=1S/C25H21Cl2N3O2S/c1-3-16-11-13-17(14-12-16)30-24(32)18-7-4-5-9-20(18)29-25(30)33-15(2)23(31)28-21-10-6-8-19(26)22(21)27/h4-15H,3H2,1-2H3,(H,28,31)
InChIKeyWRLONWWIOCHHQR-UHFFFAOYSA-N
XLogP6.37
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.44
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dichlorophenyl)-2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 16531873
N-(2,3-dichlorophenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide
CID 16535583
N-naphthalen-1-yl-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanamide
CID 23970506
(2S)-N-(2,3-dichlorophenyl)-2-[4-oxo-3-[2-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanylpropanamide
CID 2439546
N-(2,4-dichlorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanamide
CID 4282090
N-(2-fluorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanamide
CID 23886561
2-[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethylphenyl)propanamide
CID 16538573
2-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanoylamino]benzamide
CID 23914651
N-(5-chloro-2-methylphenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanamide
CID 23743281
(2R)-N-(2,3-dichlorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide
CID 7246434
N-(4-methylphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 16532216
(2R)-N-(4-acetamidophenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 41498459

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide (CID 23879743) is N-(2,3-dichlorophenyl)-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide is CCc1ccc(-n2c(SC(C)C(=O)Nc3cccc(Cl)c3Cl)nc3ccccc3c2=O)cc1.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide?
The InChIKey is WRLONWWIOCHHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2N3O2S/c1-3-16-11-13-17(14-12-16)30-24(32)18-7-4-5-9-20(18)29-25(30)33-15(2)23(31)28-21-10-6-8-19(26)22(21)27/h4-15H,3H2,1-2H3,(H,28,31).
What are the key properties of N-(2,3-dichlorophenyl)-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide?
N-(2,3-dichlorophenyl)-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide has a molecular weight of 498.44 g/mol, XLogP of 6.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide is sourced from PubChem (CID 23879743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).