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

C22H17BrN4OS — CID 164617835

IUPAC2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(2-bromophenyl)acetamide
SMILESO=C(CSc1nc(Nc2ccccc2)c2ccccc2n1)Nc1ccccc1Br
InChIInChI=1S/C22H17BrN4OS/c23-17-11-5-7-13-19(17)25-20(28)14-29-22-26-18-12-6-4-10-16(18)21(27-22)24-15-8-2-1-3-9-15/h1-13H,14H2,(H,25,28)(H,24,26,27)
InChIKeyBTAJJWURIDKUTP-UHFFFAOYSA-N
MW465.38 g/mol
LogP5.87
Rot. Bonds6

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

2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(2-bromophenyl)acetamide (PubChem CID 164617835) has the molecular formula C22H17BrN4OS and a molecular weight of 465.38 g/mol. Its IUPAC name is 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(2-bromophenyl)acetamide.

Molecular Properties

Compound Name2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(2-bromophenyl)acetamide
PubChem CID164617835
Molecular FormulaC22H17BrN4OS
Molecular Weight465.38 g/mol
Exact Mass464.03
IUPAC Name2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(2-bromophenyl)acetamide
SMILESO=C(CSc1nc(Nc2ccccc2)c2ccccc2n1)Nc1ccccc1Br
InChIInChI=1S/C22H17BrN4OS/c23-17-11-5-7-13-19(17)25-20(28)14-29-22-26-18-12-6-4-10-16(18)21(27-22)24-15-8-2-1-3-9-15/h1-13H,14H2,(H,25,28)(H,24,26,27)
InChIKeyBTAJJWURIDKUTP-UHFFFAOYSA-N
XLogP5.87
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.38
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-anilinoquinazolin-2-yl)sulfanylacetamide
CID 7404920
2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 7835808
N-(2-bromophenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 1143775
N-(4-ethoxyphenyl)-2-[4-(4-fluoroanilino)quinazolin-2-yl]sulfanylacetamide
CID 5142311
N-[3-[[2-[4-(2-chloroanilino)quinazolin-2-yl]sulfanylacetyl]amino]phenyl]prop-2-enamide
CID 164623574
N-[3-[[2-[4-(3,4-dichloroanilino)quinazolin-2-yl]sulfanylacetyl]amino]phenyl]prop-2-enamide
CID 164620504
2-[2-(2-methylanilino)-2-oxoethyl]sulfanylquinazoline-4-carboxylic acid
CID 44723920
2-[(4-anilinoquinazolin-2-yl)disulfanyl]-N-phenylquinazolin-4-amine
CID 12994963
N-(2-bromophenyl)-2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 3675546
2-[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 4112498
2-(4-anilinoquinazolin-2-yl)sulfanyl-N-[[(3S)-1,1-dioxothiolan-3-yl]carbamoyl]acetamide
CID 40811750
2-[4-(4-fluoroanilino)quinazolin-2-yl]sulfanyl-N-(3-methoxypropyl)acetamide
CID 5142318

Frequently Asked Questions

What is the IUPAC name of 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(2-bromophenyl)acetamide?
The IUPAC name of 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(2-bromophenyl)acetamide (CID 164617835) is 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(2-bromophenyl)acetamide.
What is the SMILES notation for 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(2-bromophenyl)acetamide?
The canonical SMILES for 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(2-bromophenyl)acetamide is O=C(CSc1nc(Nc2ccccc2)c2ccccc2n1)Nc1ccccc1Br.
What is the InChIKey of 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(2-bromophenyl)acetamide?
The InChIKey is BTAJJWURIDKUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrN4OS/c23-17-11-5-7-13-19(17)25-20(28)14-29-22-26-18-12-6-4-10-16(18)21(27-22)24-15-8-2-1-3-9-15/h1-13H,14H2,(H,25,28)(H,24,26,27).
What are the key properties of 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(2-bromophenyl)acetamide?
2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(2-bromophenyl)acetamide has a molecular weight of 465.38 g/mol, XLogP of 5.87, 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-bromophenyl)acetamide is sourced from PubChem (CID 164617835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).