6-amino-7-(2,4-difluorophenyl)sulfanyl-3,4-dihydro-1H-quinolin-2-one

C15H12F2N2OS — CID 43455745

IUPAC6-amino-7-(2,4-difluorophenyl)sulfanyl-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc2c(cc1Sc1ccc(F)cc1F)NC(=O)CC2
InChIInChI=1S/C15H12F2N2OS/c16-9-2-3-13(10(17)6-9)21-14-7-12-8(5-11(14)18)1-4-15(20)19-12/h2-3,5-7H,1,4,18H2,(H,19,20)
InChIKeyFMOUWFGVDPHPJD-UHFFFAOYSA-N
MW306.34 g/mol
LogP3.58
Rot. Bonds2

About 6-amino-7-(2,4-difluorophenyl)sulfanyl-3,4-dihydro-1H-quinolin-2-one

6-amino-7-(2,4-difluorophenyl)sulfanyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43455745) has the molecular formula C15H12F2N2OS and a molecular weight of 306.34 g/mol. Its IUPAC name is 6-amino-7-(2,4-difluorophenyl)sulfanyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-amino-7-(2,4-difluorophenyl)sulfanyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID43455745
Molecular FormulaC15H12F2N2OS
Molecular Weight306.34 g/mol
Exact Mass306.06
IUPAC Name6-amino-7-(2,4-difluorophenyl)sulfanyl-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc2c(cc1Sc1ccc(F)cc1F)NC(=O)CC2
InChIInChI=1S/C15H12F2N2OS/c16-9-2-3-13(10(17)6-9)21-14-7-12-8(5-11(14)18)1-4-15(20)19-12/h2-3,5-7H,1,4,18H2,(H,19,20)
InChIKeyFMOUWFGVDPHPJD-UHFFFAOYSA-N
XLogP3.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-7-(2,4-difluorophenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 43455648
6-amino-7-(2-chlorophenyl)sulfanyl-3,4-dihydro-1H-quinolin-2-one
CID 43455724
7-amino-6-(2,4-difluorophenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 43449941
6-amino-7-(4,6-diaminopyrimidin-2-yl)sulfanyl-3,4-dihydro-1H-quinolin-2-one
CID 61297339
7-amino-6-phenylsulfanyl-3,4-dihydro-1H-quinolin-2-one
CID 43450016
6-amino-7-(2-chloro-5-fluoroanilino)-3,4-dihydro-1H-quinolin-2-one
CID 107526799
7-amino-6-(3-fluorophenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 43449965
6-amino-7-(2-fluoro-3-methylphenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 107655515
6-bromo-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457689
6-amino-7-bromo-3,4-dihydro-1H-quinolin-2-one
CID 117209588
6-(2,4-difluorophenyl)sulfanyl-5-fluoro-1H-indole-2,3-dione
CID 80746944
6-amino-7-(5-chloro-2-fluoroanilino)-3,4-dihydro-1H-quinolin-2-one
CID 43455637

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-(2,4-difluorophenyl)sulfanyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-amino-7-(2,4-difluorophenyl)sulfanyl-3,4-dihydro-1H-quinolin-2-one (CID 43455745) is 6-amino-7-(2,4-difluorophenyl)sulfanyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-amino-7-(2,4-difluorophenyl)sulfanyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-amino-7-(2,4-difluorophenyl)sulfanyl-3,4-dihydro-1H-quinolin-2-one is Nc1cc2c(cc1Sc1ccc(F)cc1F)NC(=O)CC2.
What is the InChIKey of 6-amino-7-(2,4-difluorophenyl)sulfanyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is FMOUWFGVDPHPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2OS/c16-9-2-3-13(10(17)6-9)21-14-7-12-8(5-11(14)18)1-4-15(20)19-12/h2-3,5-7H,1,4,18H2,(H,19,20).
What are the key properties of 6-amino-7-(2,4-difluorophenyl)sulfanyl-3,4-dihydro-1H-quinolin-2-one?
6-amino-7-(2,4-difluorophenyl)sulfanyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 306.34 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-(2,4-difluorophenyl)sulfanyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43455745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).