9-cyclopropyl-6-fluoro-7-thiomorpholin-2-yl-[1,2]oxazolo[5,4-b]quinoline-3,4-dione

C17H16FN3O3S — CID 70439738

IUPAC9-cyclopropyl-6-fluoro-7-thiomorpholin-2-yl-[1,2]oxazolo[5,4-b]quinoline-3,4-dione
SMILESO=c1[nH]oc2c1c(=O)c1cc(F)c(C3CNCCS3)cc1n2C1CC1
InChIInChI=1S/C17H16FN3O3S/c18-11-5-10-12(6-9(11)13-7-19-3-4-25-13)21(8-1-2-8)17-14(15(10)22)16(23)20-24-17/h5-6,8,13,19H,1-4,7H2,(H,20,23)
InChIKeyXJSZZHRLZXQPEK-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.29
Rot. Bonds2

About 9-cyclopropyl-6-fluoro-7-thiomorpholin-2-yl-[1,2]oxazolo[5,4-b]quinoline-3,4-dione

9-cyclopropyl-6-fluoro-7-thiomorpholin-2-yl-[1,2]oxazolo[5,4-b]quinoline-3,4-dione (PubChem CID 70439738) has the molecular formula C17H16FN3O3S and a molecular weight of 361.40 g/mol. Its IUPAC name is 9-cyclopropyl-6-fluoro-7-thiomorpholin-2-yl-[1,2]oxazolo[5,4-b]quinoline-3,4-dione.

Molecular Properties

Compound Name9-cyclopropyl-6-fluoro-7-thiomorpholin-2-yl-[1,2]oxazolo[5,4-b]quinoline-3,4-dione
PubChem CID70439738
Molecular FormulaC17H16FN3O3S
Molecular Weight361.40 g/mol
Exact Mass361.09
IUPAC Name9-cyclopropyl-6-fluoro-7-thiomorpholin-2-yl-[1,2]oxazolo[5,4-b]quinoline-3,4-dione
SMILESO=c1[nH]oc2c1c(=O)c1cc(F)c(C3CNCCS3)cc1n2C1CC1
InChIInChI=1S/C17H16FN3O3S/c18-11-5-10-12(6-9(11)13-7-19-3-4-25-13)21(8-1-2-8)17-14(15(10)22)16(23)20-24-17/h5-6,8,13,19H,1-4,7H2,(H,20,23)
InChIKeyXJSZZHRLZXQPEK-UHFFFAOYSA-N
XLogP2.29
TPSA80.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 9-cyclopropyl-6-fluoro-7-thiomorpholin-2-yl-[1,2]oxazolo[5,4-b]quinoline-3,4-dione with MolForge

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Related Compounds

7-(4-aminocyclohexyl)-9-cyclopropyl-6-fluoro-[1,2]oxazolo[5,4-b]quinoline-3,4-dione
CID 19841264
9-cyclopropyl-6,8-difluoro-7-piperazin-1-yl-[1,2]oxazolo[5,4-b]quinoline-3,4-dione
CID 21294353
9-cyclopropyl-6,7-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 14668979
3-fluoro-8-methylidene-4-(1-methylpiperazin-2-yl)-6,11-dioxa-9,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16),10(14)-tetraene-13,15-dione
CID 54018668
9-cyclopropyl-6-fluoro-3-hydroxy-7-piperazin-1-ylthieno[2,3-b]quinolin-4-one
CID 66718445
9-cyclopropyl-6,7-difluoro-3-hydroxy-2-methylthieno[2,3-b]quinolin-4-one
CID 58092837
2-(3-chloro-4-fluorophenyl)thiomorpholine
CID 82649796
9-ethyl-6-fluoro-7-piperazin-1-yl-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione
CID 21294348
9-cyclopropyl-6,7-difluoro-3-hydroxy-4-oxothieno[2,3-b]quinoline-2-carbonitrile
CID 19365026
9-cyclopropyl-6-fluoro-7-(2-phenylacetyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 58426901
9-cyclopropyl-7-(diazepin-1-yl)-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 19981974
6-fluoro-9-(4-fluorophenyl)-7-(3-methylpiperazin-1-yl)-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione
CID 21294347

Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-6-fluoro-7-thiomorpholin-2-yl-[1,2]oxazolo[5,4-b]quinoline-3,4-dione?
The IUPAC name of 9-cyclopropyl-6-fluoro-7-thiomorpholin-2-yl-[1,2]oxazolo[5,4-b]quinoline-3,4-dione (CID 70439738) is 9-cyclopropyl-6-fluoro-7-thiomorpholin-2-yl-[1,2]oxazolo[5,4-b]quinoline-3,4-dione.
What is the SMILES notation for 9-cyclopropyl-6-fluoro-7-thiomorpholin-2-yl-[1,2]oxazolo[5,4-b]quinoline-3,4-dione?
The canonical SMILES for 9-cyclopropyl-6-fluoro-7-thiomorpholin-2-yl-[1,2]oxazolo[5,4-b]quinoline-3,4-dione is O=c1[nH]oc2c1c(=O)c1cc(F)c(C3CNCCS3)cc1n2C1CC1.
What is the InChIKey of 9-cyclopropyl-6-fluoro-7-thiomorpholin-2-yl-[1,2]oxazolo[5,4-b]quinoline-3,4-dione?
The InChIKey is XJSZZHRLZXQPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3S/c18-11-5-10-12(6-9(11)13-7-19-3-4-25-13)21(8-1-2-8)17-14(15(10)22)16(23)20-24-17/h5-6,8,13,19H,1-4,7H2,(H,20,23).
What are the key properties of 9-cyclopropyl-6-fluoro-7-thiomorpholin-2-yl-[1,2]oxazolo[5,4-b]quinoline-3,4-dione?
9-cyclopropyl-6-fluoro-7-thiomorpholin-2-yl-[1,2]oxazolo[5,4-b]quinoline-3,4-dione has a molecular weight of 361.40 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-6-fluoro-7-thiomorpholin-2-yl-[1,2]oxazolo[5,4-b]quinoline-3,4-dione is sourced from PubChem (CID 70439738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).