9-cyclopropyl-6-fluoro-7-(8-methoxyimino-2,6-diazaspiro[3.4]octan-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione

C20H20FN5O3S — CID 87582835

IUPAC9-cyclopropyl-6-fluoro-7-(8-methoxyimino-2,6-diazaspiro[3.4]octan-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESCON=C1CN(c2cc3c(cc2F)c(=O)c2c(=O)[nH]sc2n3C2CC2)CC12CNC2
InChIInChI=1S/C20H20FN5O3S/c1-29-23-15-6-25(9-20(15)7-22-8-20)14-5-13-11(4-12(14)21)17(27)16-18(28)24-30-19(16)26(13)10-2-3-10/h4-5,10,22H,2-3,6-9H2,1H3,(H,24,28)
InChIKeyQKTFTSYLTCMZOV-UHFFFAOYSA-N
MW429.48 g/mol
LogP1.79
Rot. Bonds3

About 9-cyclopropyl-6-fluoro-7-(8-methoxyimino-2,6-diazaspiro[3.4]octan-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione

9-cyclopropyl-6-fluoro-7-(8-methoxyimino-2,6-diazaspiro[3.4]octan-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (PubChem CID 87582835) has the molecular formula C20H20FN5O3S and a molecular weight of 429.48 g/mol. Its IUPAC name is 9-cyclopropyl-6-fluoro-7-(8-methoxyimino-2,6-diazaspiro[3.4]octan-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.

Molecular Properties

Compound Name9-cyclopropyl-6-fluoro-7-(8-methoxyimino-2,6-diazaspiro[3.4]octan-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
PubChem CID87582835
Molecular FormulaC20H20FN5O3S
Molecular Weight429.48 g/mol
Exact Mass429.13
IUPAC Name9-cyclopropyl-6-fluoro-7-(8-methoxyimino-2,6-diazaspiro[3.4]octan-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESCON=C1CN(c2cc3c(cc2F)c(=O)c2c(=O)[nH]sc2n3C2CC2)CC12CNC2
InChIInChI=1S/C20H20FN5O3S/c1-29-23-15-6-25(9-20(15)7-22-8-20)14-5-13-11(4-12(14)21)17(27)16-18(28)24-30-19(16)26(13)10-2-3-10/h4-5,10,22H,2-3,6-9H2,1H3,(H,24,28)
InChIKeyQKTFTSYLTCMZOV-UHFFFAOYSA-N
XLogP1.79
TPSA91.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 9-cyclopropyl-6-fluoro-7-(8-methoxyimino-2,6-diazaspiro[3.4]octan-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione with MolForge

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Related Compounds

9-cyclopropyl-6-fluoro-7-(4-methoxyiminopiperidin-1-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 11589452
9-cyclopropyl-6,7-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 14668979
7-[3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione;hydrochloride
CID 66742002
N-[1-(9-cyclopropyl-6-fluoro-3,4-dioxo-[1,2]thiazolo[5,4-b]quinolin-7-yl)azetidin-3-yl]-2,2,2-trifluoro-N-methylacetamide
CID 10027065
9-cyclopropyl-7-(diazepin-1-yl)-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 19981974
7-[3-(aminomethyl)-4-phenylmethoxyiminopyrrolidin-1-yl]-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 91070208
N-[1-(9-cyclopropyl-6-fluoro-3,4-dioxo-[1,2]thiazolo[5,4-b]quinolin-7-yl)azetidin-3-yl]-N-ethyl-2,2,2-trifluoroacetamide
CID 10389972
9-cyclopropyl-6-fluoro-7-[2-(methoxyiminomethyl)-4-pyridinyl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 91506472
9-cyclopropyl-6-fluoro-7-(2-methoxy-4-methylphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 58426801
7-[3-(aminomethyl)-4-(methoxyamino)-2,3-dihydropyrrol-1-yl]-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 91495941
9-cyclopropyl-6-fluoro-7-[2-(4-methoxyphenyl)ethynyl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 58426832
9-cyclopropyl-6-fluoro-7-(2-phenylacetyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 58426901

Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-6-fluoro-7-(8-methoxyimino-2,6-diazaspiro[3.4]octan-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The IUPAC name of 9-cyclopropyl-6-fluoro-7-(8-methoxyimino-2,6-diazaspiro[3.4]octan-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (CID 87582835) is 9-cyclopropyl-6-fluoro-7-(8-methoxyimino-2,6-diazaspiro[3.4]octan-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.
What is the SMILES notation for 9-cyclopropyl-6-fluoro-7-(8-methoxyimino-2,6-diazaspiro[3.4]octan-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The canonical SMILES for 9-cyclopropyl-6-fluoro-7-(8-methoxyimino-2,6-diazaspiro[3.4]octan-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is CON=C1CN(c2cc3c(cc2F)c(=O)c2c(=O)[nH]sc2n3C2CC2)CC12CNC2.
What is the InChIKey of 9-cyclopropyl-6-fluoro-7-(8-methoxyimino-2,6-diazaspiro[3.4]octan-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The InChIKey is QKTFTSYLTCMZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O3S/c1-29-23-15-6-25(9-20(15)7-22-8-20)14-5-13-11(4-12(14)21)17(27)16-18(28)24-30-19(16)26(13)10-2-3-10/h4-5,10,22H,2-3,6-9H2,1H3,(H,24,28).
What are the key properties of 9-cyclopropyl-6-fluoro-7-(8-methoxyimino-2,6-diazaspiro[3.4]octan-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
9-cyclopropyl-6-fluoro-7-(8-methoxyimino-2,6-diazaspiro[3.4]octan-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione has a molecular weight of 429.48 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-6-fluoro-7-(8-methoxyimino-2,6-diazaspiro[3.4]octan-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is sourced from PubChem (CID 87582835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).