7-(4-aminocyclohexyl)-9-cyclopropyl-6-fluoro-[1,2]oxazolo[5,4-b]quinoline-3,4-dione

C19H20FN3O3 — CID 19841264

IUPAC7-(4-aminocyclohexyl)-9-cyclopropyl-6-fluoro-[1,2]oxazolo[5,4-b]quinoline-3,4-dione
SMILESNC1CCC(c2cc3c(cc2F)c(=O)c2c(=O)[nH]oc2n3C2CC2)CC1
InChIInChI=1S/C19H20FN3O3/c20-14-7-13-15(8-12(14)9-1-3-10(21)4-2-9)23(11-5-6-11)19-16(17(13)24)18(25)22-26-19/h7-11H,1-6,21H2,(H,22,25)
InChIKeyRAGDSOZBASVOAL-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.89
Rot. Bonds2

About 7-(4-aminocyclohexyl)-9-cyclopropyl-6-fluoro-[1,2]oxazolo[5,4-b]quinoline-3,4-dione

7-(4-aminocyclohexyl)-9-cyclopropyl-6-fluoro-[1,2]oxazolo[5,4-b]quinoline-3,4-dione (PubChem CID 19841264) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is 7-(4-aminocyclohexyl)-9-cyclopropyl-6-fluoro-[1,2]oxazolo[5,4-b]quinoline-3,4-dione.

Molecular Properties

Compound Name7-(4-aminocyclohexyl)-9-cyclopropyl-6-fluoro-[1,2]oxazolo[5,4-b]quinoline-3,4-dione
PubChem CID19841264
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Name7-(4-aminocyclohexyl)-9-cyclopropyl-6-fluoro-[1,2]oxazolo[5,4-b]quinoline-3,4-dione
SMILESNC1CCC(c2cc3c(cc2F)c(=O)c2c(=O)[nH]oc2n3C2CC2)CC1
InChIInChI=1S/C19H20FN3O3/c20-14-7-13-15(8-12(14)9-1-3-10(21)4-2-9)23(11-5-6-11)19-16(17(13)24)18(25)22-26-19/h7-11H,1-6,21H2,(H,22,25)
InChIKeyRAGDSOZBASVOAL-UHFFFAOYSA-N
XLogP2.89
TPSA94.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

9-cyclopropyl-6-fluoro-7-thiomorpholin-2-yl-[1,2]oxazolo[5,4-b]quinoline-3,4-dione
CID 70439738
9-cyclopropyl-6,8-difluoro-7-piperazin-1-yl-[1,2]oxazolo[5,4-b]quinoline-3,4-dione
CID 21294353
7-(3-aminocyclopentyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 67916341
9-cyclopropyl-6,7-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 14668979
7-(3-aminocyclopentyl)-9-(2,4-difluorophenyl)-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 57015750
7-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 59999527
9-cyclopropyl-6,7-difluoro-3-hydroxy-2-methylthieno[2,3-b]quinolin-4-one
CID 58092837
7-(4-aminocyclohexyl)-9-ethyl-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 19841305
4-(2,5-difluorophenyl)cyclohexan-1-amine
CID 83261679
7-[4-(2-amino-3-hydroxypropyl)phenyl]-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 58426840
7-(3-amino-4-methylpyrrolidin-1-yl)-6-fluoro-9-(4-fluorophenyl)-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione
CID 54173423
4-[3-(aminomethyl)-4-chloropyrrolidin-1-yl]-3-fluoro-8-methyl-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 54128570

Frequently Asked Questions

What is the IUPAC name of 7-(4-aminocyclohexyl)-9-cyclopropyl-6-fluoro-[1,2]oxazolo[5,4-b]quinoline-3,4-dione?
The IUPAC name of 7-(4-aminocyclohexyl)-9-cyclopropyl-6-fluoro-[1,2]oxazolo[5,4-b]quinoline-3,4-dione (CID 19841264) is 7-(4-aminocyclohexyl)-9-cyclopropyl-6-fluoro-[1,2]oxazolo[5,4-b]quinoline-3,4-dione.
What is the SMILES notation for 7-(4-aminocyclohexyl)-9-cyclopropyl-6-fluoro-[1,2]oxazolo[5,4-b]quinoline-3,4-dione?
The canonical SMILES for 7-(4-aminocyclohexyl)-9-cyclopropyl-6-fluoro-[1,2]oxazolo[5,4-b]quinoline-3,4-dione is NC1CCC(c2cc3c(cc2F)c(=O)c2c(=O)[nH]oc2n3C2CC2)CC1.
What is the InChIKey of 7-(4-aminocyclohexyl)-9-cyclopropyl-6-fluoro-[1,2]oxazolo[5,4-b]quinoline-3,4-dione?
The InChIKey is RAGDSOZBASVOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c20-14-7-13-15(8-12(14)9-1-3-10(21)4-2-9)23(11-5-6-11)19-16(17(13)24)18(25)22-26-19/h7-11H,1-6,21H2,(H,22,25).
What are the key properties of 7-(4-aminocyclohexyl)-9-cyclopropyl-6-fluoro-[1,2]oxazolo[5,4-b]quinoline-3,4-dione?
7-(4-aminocyclohexyl)-9-cyclopropyl-6-fluoro-[1,2]oxazolo[5,4-b]quinoline-3,4-dione has a molecular weight of 357.39 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-aminocyclohexyl)-9-cyclopropyl-6-fluoro-[1,2]oxazolo[5,4-b]quinoline-3,4-dione is sourced from PubChem (CID 19841264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).