2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(2,4-dichlorophenyl)acetamide

C22H16Cl2N4OS — CID 164611388

IUPAC2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(2,4-dichlorophenyl)acetamide
SMILESO=C(CSc1nc(Nc2ccccc2)c2ccccc2n1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H16Cl2N4OS/c23-14-10-11-19(17(24)12-14)26-20(29)13-30-22-27-18-9-5-4-8-16(18)21(28-22)25-15-6-2-1-3-7-15/h1-12H,13H2,(H,26,29)(H,25,27,28)
InChIKeyJUKGWGFBHRGDBA-UHFFFAOYSA-N
MW455.37 g/mol
LogP6.41
Rot. Bonds6

About 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(2,4-dichlorophenyl)acetamide

2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(2,4-dichlorophenyl)acetamide (PubChem CID 164611388) has the molecular formula C22H16Cl2N4OS and a molecular weight of 455.37 g/mol. Its IUPAC name is 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(2,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(2,4-dichlorophenyl)acetamide
PubChem CID164611388
Molecular FormulaC22H16Cl2N4OS
Molecular Weight455.37 g/mol
Exact Mass454.04
IUPAC Name2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(2,4-dichlorophenyl)acetamide
SMILESO=C(CSc1nc(Nc2ccccc2)c2ccccc2n1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H16Cl2N4OS/c23-14-10-11-19(17(24)12-14)26-20(29)13-30-22-27-18-9-5-4-8-16(18)21(28-22)25-15-6-2-1-3-7-15/h1-12H,13H2,(H,26,29)(H,25,27,28)
InChIKeyJUKGWGFBHRGDBA-UHFFFAOYSA-N
XLogP6.41
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.37
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-Chlorophenyl){2-[(4-chlorophenyl)amino]quinazolin-4-yl}amine
CID 1878549
N*2*-(4-Chloro-phenyl)-N*4*-phenyl-quinazoline-2,4-diamine
CID 44271459
N-{4-[4-(4-Chloro-phenylamino)-quinazolin-2-ylamino]-cyclohexylmethyl}-acetamide
CID 44271525
N-{4-[4-(4-Chloro-phenylamino)-quinazolin-2-ylamino]-cyclohexylmethyl}-N-methyl-acetamide
CID 44271533
2-[(4-amino-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]-N-phenylacetamide
CID 2012473
2-[(3-chlorophenyl)methylsulfanyl]-N-(4-fluorophenyl)quinazolin-4-amine
CID 3375513
7-chloro-2-[({4-[(4-chlorobenzyl)amino]quinazolin-2-yl}thio)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
CID 3632467
N-benzyl-2-[4-(benzylamino)quinazolin-2-yl]sulfanyl-N-methylacetamide
CID 4390753
N-(2,4-dichlorophenyl)-2-(trichloromethyl)quinazolin-4-amine
CID 44241615
2-(chloromethyl)-N-(2,4-dichlorophenyl)quinazolin-4-amine
CID 134142696
(2-Chloro-phenyl)-(2-phenyl-quinazolin-4-yl)-amine
CID 10426854
N-(2,4-dichlorophenyl)-4-phenylquinazolin-2-amine
CID 3555557

Frequently Asked Questions

What is the IUPAC name of 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(2,4-dichlorophenyl)acetamide?
The IUPAC name of 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(2,4-dichlorophenyl)acetamide (CID 164611388) is 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(2,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(2,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(2,4-dichlorophenyl)acetamide is O=C(CSc1nc(Nc2ccccc2)c2ccccc2n1)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(2,4-dichlorophenyl)acetamide?
The InChIKey is JUKGWGFBHRGDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N4OS/c23-14-10-11-19(17(24)12-14)26-20(29)13-30-22-27-18-9-5-4-8-16(18)21(28-22)25-15-6-2-1-3-7-15/h1-12H,13H2,(H,26,29)(H,25,27,28).
What are the key properties of 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(2,4-dichlorophenyl)acetamide?
2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(2,4-dichlorophenyl)acetamide has a molecular weight of 455.37 g/mol, XLogP of 6.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(2,4-dichlorophenyl)acetamide is sourced from PubChem (CID 164611388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).