9-cyclopropyl-6-fluoro-7-[2-(methoxyiminomethyl)-4-pyridinyl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione

C20H15FN4O3S — CID 91506472

IUPAC9-cyclopropyl-6-fluoro-7-[2-(methoxyiminomethyl)-4-pyridinyl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESCON=Cc1cc(-c2cc3c(cc2F)c(=O)c2c(=O)[nH]sc2n3C2CC2)ccn1
InChIInChI=1S/C20H15FN4O3S/c1-28-23-9-11-6-10(4-5-22-11)13-8-16-14(7-15(13)21)18(26)17-19(27)24-29-20(17)25(16)12-2-3-12/h4-9,12H,2-3H2,1H3,(H,24,27)
InChIKeyNQSXOHVUWDFYMG-UHFFFAOYSA-N
MW410.43 g/mol
LogP3.42
Rot. Bonds4

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

9-cyclopropyl-6-fluoro-7-[2-(methoxyiminomethyl)-4-pyridinyl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (PubChem CID 91506472) has the molecular formula C20H15FN4O3S and a molecular weight of 410.43 g/mol. Its IUPAC name is 9-cyclopropyl-6-fluoro-7-[2-(methoxyiminomethyl)-4-pyridinyl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.

Molecular Properties

Compound Name9-cyclopropyl-6-fluoro-7-[2-(methoxyiminomethyl)-4-pyridinyl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
PubChem CID91506472
Molecular FormulaC20H15FN4O3S
Molecular Weight410.43 g/mol
Exact Mass410.08
IUPAC Name9-cyclopropyl-6-fluoro-7-[2-(methoxyiminomethyl)-4-pyridinyl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESCON=Cc1cc(-c2cc3c(cc2F)c(=O)c2c(=O)[nH]sc2n3C2CC2)ccn1
InChIInChI=1S/C20H15FN4O3S/c1-28-23-9-11-6-10(4-5-22-11)13-8-16-14(7-15(13)21)18(26)17-19(27)24-29-20(17)25(16)12-2-3-12/h4-9,12H,2-3H2,1H3,(H,24,27)
InChIKeyNQSXOHVUWDFYMG-UHFFFAOYSA-N
XLogP3.42
TPSA89.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[2-(methoxyiminomethyl)-4-pyridinyl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione with MolForge

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Launch Full Analysis

Related Compounds

9-cyclopropyl-6-fluoro-7-(1H-indol-5-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 11531250
9-cyclopropyl-6-fluoro-7-(2-methoxy-4-methylphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 58426801
9-cyclopropyl-6,7-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 14668979
9-cyclopropyl-6-fluoro-7-(1,2,3,4-tetrahydroquinolin-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 58426787
9-cyclopropyl-6-fluoro-7-[4-(piperidin-1-ylmethyl)phenyl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 58426798
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
tert-butyl 5-(9-cyclopropyl-6-fluoro-3,4-dioxo-[1,2]thiazolo[5,4-b]quinolin-7-yl)-1,3-dihydroisoindole-2-carboxylate
CID 11591303
7-[4-(2-amino-3-hydroxypropyl)phenyl]-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 58426840
9-cyclopropyl-6-fluoro-7-(4-methoxyiminopiperidin-1-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 11589452
9-cyclopropyl-6-fluoro-7-[4-(2-morpholin-4-ylethoxy)phenyl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 58426900
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-(8-methoxyimino-2,6-diazaspiro[3.4]octan-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 87582835

Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-6-fluoro-7-[2-(methoxyiminomethyl)-4-pyridinyl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The IUPAC name of 9-cyclopropyl-6-fluoro-7-[2-(methoxyiminomethyl)-4-pyridinyl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (CID 91506472) is 9-cyclopropyl-6-fluoro-7-[2-(methoxyiminomethyl)-4-pyridinyl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.
What is the SMILES notation for 9-cyclopropyl-6-fluoro-7-[2-(methoxyiminomethyl)-4-pyridinyl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The canonical SMILES for 9-cyclopropyl-6-fluoro-7-[2-(methoxyiminomethyl)-4-pyridinyl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is CON=Cc1cc(-c2cc3c(cc2F)c(=O)c2c(=O)[nH]sc2n3C2CC2)ccn1.
What is the InChIKey of 9-cyclopropyl-6-fluoro-7-[2-(methoxyiminomethyl)-4-pyridinyl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The InChIKey is NQSXOHVUWDFYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O3S/c1-28-23-9-11-6-10(4-5-22-11)13-8-16-14(7-15(13)21)18(26)17-19(27)24-29-20(17)25(16)12-2-3-12/h4-9,12H,2-3H2,1H3,(H,24,27).
What are the key properties of 9-cyclopropyl-6-fluoro-7-[2-(methoxyiminomethyl)-4-pyridinyl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
9-cyclopropyl-6-fluoro-7-[2-(methoxyiminomethyl)-4-pyridinyl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione has a molecular weight of 410.43 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-6-fluoro-7-[2-(methoxyiminomethyl)-4-pyridinyl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is sourced from PubChem (CID 91506472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).