6-[3-[(2,5-dichlorophenyl)sulfanylamino]-2-fluorophenyl]quinazolin-2-amine

C20H13Cl2FN4S — CID 156832923

IUPAC6-[3-[(2,5-dichlorophenyl)sulfanylamino]-2-fluorophenyl]quinazolin-2-amine
SMILESNc1ncc2cc(-c3cccc(NSc4cc(Cl)ccc4Cl)c3F)ccc2n1
InChIInChI=1S/C20H13Cl2FN4S/c21-13-5-6-15(22)18(9-13)28-27-17-3-1-2-14(19(17)23)11-4-7-16-12(8-11)10-25-20(24)26-16/h1-10,27H,(H2,24,25,26)
InChIKeyUBXUXGPWINQFRX-UHFFFAOYSA-N
MW431.32 g/mol
LogP6.44
Rot. Bonds4

About 6-[3-[(2,5-dichlorophenyl)sulfanylamino]-2-fluorophenyl]quinazolin-2-amine

6-[3-[(2,5-dichlorophenyl)sulfanylamino]-2-fluorophenyl]quinazolin-2-amine (PubChem CID 156832923) has the molecular formula C20H13Cl2FN4S and a molecular weight of 431.32 g/mol. Its IUPAC name is 6-[3-[(2,5-dichlorophenyl)sulfanylamino]-2-fluorophenyl]quinazolin-2-amine.

Molecular Properties

Compound Name6-[3-[(2,5-dichlorophenyl)sulfanylamino]-2-fluorophenyl]quinazolin-2-amine
PubChem CID156832923
Molecular FormulaC20H13Cl2FN4S
Molecular Weight431.32 g/mol
Exact Mass430.02
IUPAC Name6-[3-[(2,5-dichlorophenyl)sulfanylamino]-2-fluorophenyl]quinazolin-2-amine
SMILESNc1ncc2cc(-c3cccc(NSc4cc(Cl)ccc4Cl)c3F)ccc2n1
InChIInChI=1S/C20H13Cl2FN4S/c21-13-5-6-15(22)18(9-13)28-27-17-3-1-2-14(19(17)23)11-4-7-16-12(8-11)10-25-20(24)26-16/h1-10,27H,(H2,24,25,26)
InChIKeyUBXUXGPWINQFRX-UHFFFAOYSA-N
XLogP6.44
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.32
LogP ≤ 56.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-[3-[(2,5-dichlorophenyl)sulfanylamino]-2,6-difluorophenyl]quinazolin-2-amine
CID 156833178
6-[2,6-difluoro-3-[(2,4,5-trichlorophenyl)sulfanylamino]phenyl]quinazolin-2-amine
CID 156832892
6-[2,6-difluoro-3-[(3-methylphenyl)sulfanylamino]phenyl]quinazolin-2-amine
CID 156833423
N-[3-(2-aminoquinazolin-6-yl)-2,6-difluorophenyl]-2,5-dichlorobenzenesulfonamide
CID 156833143
N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-2,5-dichlorobenzenesulfonamide
CID 156833222
6-[2,6-difluoro-3-[(3-fluoro-4-methylphenyl)sulfanylamino]phenyl]quinazolin-2-amine;ethane
CID 156833105
6-[1-(2,5-dichlorophenyl)sulfonyl-2,3-dihydroindol-4-yl]quinazolin-2-amine
CID 167484126
N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-3,4-dichlorobenzenesulfonamide
CID 156833076
N-(2-chlorophenyl)sulfanyl-3-fluoro-5-(2-fluoroquinazolin-6-yl)-6-methoxypyridin-2-amine
CID 142590386
4-N-[6-[4-[(2-chlorophenyl)sulfanylamino]-3-fluorophenyl]quinazolin-2-yl]bicyclo[2.2.2]octane-1,4-diamine
CID 142488921
7-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfanylamino]-2,6-difluorophenyl]isoquinolin-3-amine
CID 156833388
N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-3-chloro-4-methylbenzenesulfonamide
CID 156833311

Frequently Asked Questions

What is the IUPAC name of 6-[3-[(2,5-dichlorophenyl)sulfanylamino]-2-fluorophenyl]quinazolin-2-amine?
The IUPAC name of 6-[3-[(2,5-dichlorophenyl)sulfanylamino]-2-fluorophenyl]quinazolin-2-amine (CID 156832923) is 6-[3-[(2,5-dichlorophenyl)sulfanylamino]-2-fluorophenyl]quinazolin-2-amine.
What is the SMILES notation for 6-[3-[(2,5-dichlorophenyl)sulfanylamino]-2-fluorophenyl]quinazolin-2-amine?
The canonical SMILES for 6-[3-[(2,5-dichlorophenyl)sulfanylamino]-2-fluorophenyl]quinazolin-2-amine is Nc1ncc2cc(-c3cccc(NSc4cc(Cl)ccc4Cl)c3F)ccc2n1.
What is the InChIKey of 6-[3-[(2,5-dichlorophenyl)sulfanylamino]-2-fluorophenyl]quinazolin-2-amine?
The InChIKey is UBXUXGPWINQFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2FN4S/c21-13-5-6-15(22)18(9-13)28-27-17-3-1-2-14(19(17)23)11-4-7-16-12(8-11)10-25-20(24)26-16/h1-10,27H,(H2,24,25,26).
What are the key properties of 6-[3-[(2,5-dichlorophenyl)sulfanylamino]-2-fluorophenyl]quinazolin-2-amine?
6-[3-[(2,5-dichlorophenyl)sulfanylamino]-2-fluorophenyl]quinazolin-2-amine has a molecular weight of 431.32 g/mol, XLogP of 6.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(2,5-dichlorophenyl)sulfanylamino]-2-fluorophenyl]quinazolin-2-amine is sourced from PubChem (CID 156832923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).