6-fluoro-7-(thiolan-3-ylmethylamino)-3,4-dihydro-1H-quinolin-2-one

C14H17FN2OS — CID 107131652

IUPAC6-fluoro-7-(thiolan-3-ylmethylamino)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(F)c(NCC3CCSC3)cc2N1
InChIInChI=1S/C14H17FN2OS/c15-11-5-10-1-2-14(18)17-12(10)6-13(11)16-7-9-3-4-19-8-9/h5-6,9,16H,1-4,7-8H2,(H,17,18)
InChIKeyMXSONPCOOSIIRB-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.88
Rot. Bonds3

About 6-fluoro-7-(thiolan-3-ylmethylamino)-3,4-dihydro-1H-quinolin-2-one

6-fluoro-7-(thiolan-3-ylmethylamino)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 107131652) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is 6-fluoro-7-(thiolan-3-ylmethylamino)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-fluoro-7-(thiolan-3-ylmethylamino)-3,4-dihydro-1H-quinolin-2-one
PubChem CID107131652
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC Name6-fluoro-7-(thiolan-3-ylmethylamino)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(F)c(NCC3CCSC3)cc2N1
InChIInChI=1S/C14H17FN2OS/c15-11-5-10-1-2-14(18)17-12(10)6-13(11)16-7-9-3-4-19-8-9/h5-6,9,16H,1-4,7-8H2,(H,17,18)
InChIKeyMXSONPCOOSIIRB-UHFFFAOYSA-N
XLogP2.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-(3,3-dimethylbutylamino)-6-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 62950028
7-[(5-chloro-1,3-thiazol-2-yl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 104921679
6-fluoro-7-[[2-(hydroxymethyl)-2-methylbutyl]amino]-3,4-dihydro-1H-quinolin-2-one
CID 81412914
6-fluoro-7-[(4-methylphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43723900
7-[(3-aminocyclohexyl)amino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 79458946
N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-1,3-thiazolidine-4-carboxamide
CID 43709593
6-amino-7-[(3-methylcyclopentyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 107411249
6-(cyclopropylmethylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 43449824
7-fluoro-6-(2-phenylethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 126785303
6-fluoro-7-[(3-hydroxyphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43723932
2-(ethylamino)-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-methylpropanamide
CID 62833433
4,5-difluoro-2-nitro-N-(thiolan-3-ylmethyl)aniline
CID 112751988

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-(thiolan-3-ylmethylamino)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-fluoro-7-(thiolan-3-ylmethylamino)-3,4-dihydro-1H-quinolin-2-one (CID 107131652) is 6-fluoro-7-(thiolan-3-ylmethylamino)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-fluoro-7-(thiolan-3-ylmethylamino)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-fluoro-7-(thiolan-3-ylmethylamino)-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(F)c(NCC3CCSC3)cc2N1.
What is the InChIKey of 6-fluoro-7-(thiolan-3-ylmethylamino)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is MXSONPCOOSIIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2OS/c15-11-5-10-1-2-14(18)17-12(10)6-13(11)16-7-9-3-4-19-8-9/h5-6,9,16H,1-4,7-8H2,(H,17,18).
What are the key properties of 6-fluoro-7-(thiolan-3-ylmethylamino)-3,4-dihydro-1H-quinolin-2-one?
6-fluoro-7-(thiolan-3-ylmethylamino)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 280.37 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-(thiolan-3-ylmethylamino)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 107131652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).