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

C22H17ClN4OS — CID 164623733

IUPAC2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(4-chlorophenyl)acetamide
SMILESO=C(CSc1nc(Nc2ccccc2)c2ccccc2n1)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H17ClN4OS/c23-15-10-12-17(13-11-15)24-20(28)14-29-22-26-19-9-5-4-8-18(19)21(27-22)25-16-6-2-1-3-7-16/h1-13H,14H2,(H,24,28)(H,25,26,27)
InChIKeyUZPRCTOCZMUBGM-UHFFFAOYSA-N
MW420.93 g/mol
LogP5.76
Rot. Bonds6

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

2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(4-chlorophenyl)acetamide (PubChem CID 164623733) 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-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(4-chlorophenyl)acetamide
PubChem CID164623733
Molecular FormulaC22H17ClN4OS
Molecular Weight420.93 g/mol
Exact Mass420.08
IUPAC Name2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(4-chlorophenyl)acetamide
SMILESO=C(CSc1nc(Nc2ccccc2)c2ccccc2n1)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H17ClN4OS/c23-15-10-12-17(13-11-15)24-20(28)14-29-22-26-19-9-5-4-8-18(19)21(27-22)25-16-6-2-1-3-7-16/h1-13H,14H2,(H,24,28)(H,25,26,27)
InChIKeyUZPRCTOCZMUBGM-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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Related Compounds

2-(6-Chloro-4-phenylquinazolin-2-yl)sulfanylacetonitrile
CID 2017190
(4-Chloro-phenyl)-(2-phenyl-quinazolin-4-yl)-amine
CID 10359377
6-{[(4-chlorophenyl)sulfanyl]methyl}-2-[(4-methylquinazolin-2-yl)amino]pyrimidin-4(1H)-one
CID 135449834
N~2~-(4-chlorophenyl)-2,4-quinazolinediamine hydrochloride
CID 2953146
6-Chloro-4-phenyl-2-(prop-2-enylthio)quinazoline
CID 1925990
(4-Chlorophenyl){2-[(4-chlorophenyl)amino]quinazolin-4-yl}amine
CID 1878549
N4-Benzyl-N2-(4-chlorophenyl)quinazoline-2,4-diamine
CID 2351737
2-N-(4-chloro-2-methylphenyl)-4-N-methyl-4-N-phenylquinazoline-2,4-diamine
CID 10384828
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
N-{4-[(2-phenyl-4-quinazolinyl)amino]phenyl}acetamide
CID 992642

Frequently Asked Questions

What is the IUPAC name of 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(4-chlorophenyl)acetamide (CID 164623733) is 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(4-chlorophenyl)acetamide is O=C(CSc1nc(Nc2ccccc2)c2ccccc2n1)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(4-chlorophenyl)acetamide?
The InChIKey is UZPRCTOCZMUBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4OS/c23-15-10-12-17(13-11-15)24-20(28)14-29-22-26-19-9-5-4-8-18(19)21(27-22)25-16-6-2-1-3-7-16/h1-13H,14H2,(H,24,28)(H,25,26,27).
What are the key properties of 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(4-chlorophenyl)acetamide?
2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(4-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-(4-chlorophenyl)acetamide is sourced from PubChem (CID 164623733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).