2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(3-chlorophenyl)acetamide

C22H17ClN4OS — CID 164628206

IUPAC2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(3-chlorophenyl)acetamide
SMILESO=C(CSc1nc(Nc2ccccc2)c2ccccc2n1)Nc1cccc(Cl)c1
InChIInChI=1S/C22H17ClN4OS/c23-15-7-6-10-17(13-15)24-20(28)14-29-22-26-19-12-5-4-11-18(19)21(27-22)25-16-8-2-1-3-9-16/h1-13H,14H2,(H,24,28)(H,25,26,27)
InChIKeyCFQHPEDYFDLQHS-UHFFFAOYSA-N
MW420.93 g/mol
LogP5.76
Rot. Bonds6

About 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(3-chlorophenyl)acetamide

2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(3-chlorophenyl)acetamide (PubChem CID 164628206) has the molecular formula C22H17ClN4OS and a molecular weight of 420.93 g/mol. Its IUPAC name is 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(3-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(3-chlorophenyl)acetamide
PubChem CID164628206
Molecular FormulaC22H17ClN4OS
Molecular Weight420.93 g/mol
Exact Mass420.08
IUPAC Name2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(3-chlorophenyl)acetamide
SMILESO=C(CSc1nc(Nc2ccccc2)c2ccccc2n1)Nc1cccc(Cl)c1
InChIInChI=1S/C22H17ClN4OS/c23-15-7-6-10-17(13-15)24-20(28)14-29-22-26-19-12-5-4-11-18(19)21(27-22)25-16-8-2-1-3-9-16/h1-13H,14H2,(H,24,28)(H,25,26,27)
InChIKeyCFQHPEDYFDLQHS-UHFFFAOYSA-N
XLogP5.76
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.93
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(3-chlorophenyl)acetamide?
The IUPAC name of 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(3-chlorophenyl)acetamide (CID 164628206) is 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(3-chlorophenyl)acetamide.
What is the SMILES notation for 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(3-chlorophenyl)acetamide?
The canonical SMILES for 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(3-chlorophenyl)acetamide is O=C(CSc1nc(Nc2ccccc2)c2ccccc2n1)Nc1cccc(Cl)c1.
What is the InChIKey of 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(3-chlorophenyl)acetamide?
The InChIKey is CFQHPEDYFDLQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4OS/c23-15-7-6-10-17(13-15)24-20(28)14-29-22-26-19-12-5-4-11-18(19)21(27-22)25-16-8-2-1-3-9-16/h1-13H,14H2,(H,24,28)(H,25,26,27).
What are the key properties of 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(3-chlorophenyl)acetamide?
2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(3-chlorophenyl)acetamide has a molecular weight of 420.93 g/mol, XLogP of 5.76, 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-(3-chlorophenyl)acetamide is sourced from PubChem (CID 164628206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).