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

C19H15FN4O2S — CID 11717890

IUPAC7-[6-(aminomethyl)-3-pyridinyl]-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESNCc1ccc(-c2cc3c(cc2F)c(=O)c2c(=O)[nH]sc2n3C2CC2)cn1
InChIInChI=1S/C19H15FN4O2S/c20-14-5-13-15(6-12(14)9-1-2-10(7-21)22-8-9)24(11-3-4-11)19-16(17(13)25)18(26)23-27-19/h1-2,5-6,8,11H,3-4,7,21H2,(H,23,26)
InChIKeyXTYLBWGLTSGVFN-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.90
Rot. Bonds3

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

7-[6-(aminomethyl)-3-pyridinyl]-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (PubChem CID 11717890) has the molecular formula C19H15FN4O2S and a molecular weight of 382.42 g/mol. Its IUPAC name is 7-[6-(aminomethyl)-3-pyridinyl]-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.

Molecular Properties

Compound Name7-[6-(aminomethyl)-3-pyridinyl]-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
PubChem CID11717890
Molecular FormulaC19H15FN4O2S
Molecular Weight382.42 g/mol
Exact Mass382.09
IUPAC Name7-[6-(aminomethyl)-3-pyridinyl]-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESNCc1ccc(-c2cc3c(cc2F)c(=O)c2c(=O)[nH]sc2n3C2CC2)cn1
InChIInChI=1S/C19H15FN4O2S/c20-14-5-13-15(6-12(14)9-1-2-10(7-21)22-8-9)24(11-3-4-11)19-16(17(13)25)18(26)23-27-19/h1-2,5-6,8,11H,3-4,7,21H2,(H,23,26)
InChIKeyXTYLBWGLTSGVFN-UHFFFAOYSA-N
XLogP2.90
TPSA93.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 7-[6-(aminomethyl)-3-pyridinyl]-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The IUPAC name of 7-[6-(aminomethyl)-3-pyridinyl]-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (CID 11717890) is 7-[6-(aminomethyl)-3-pyridinyl]-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.
What is the SMILES notation for 7-[6-(aminomethyl)-3-pyridinyl]-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The canonical SMILES for 7-[6-(aminomethyl)-3-pyridinyl]-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is NCc1ccc(-c2cc3c(cc2F)c(=O)c2c(=O)[nH]sc2n3C2CC2)cn1.
What is the InChIKey of 7-[6-(aminomethyl)-3-pyridinyl]-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The InChIKey is XTYLBWGLTSGVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2S/c20-14-5-13-15(6-12(14)9-1-2-10(7-21)22-8-9)24(11-3-4-11)19-16(17(13)25)18(26)23-27-19/h1-2,5-6,8,11H,3-4,7,21H2,(H,23,26).
What are the key properties of 7-[6-(aminomethyl)-3-pyridinyl]-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
7-[6-(aminomethyl)-3-pyridinyl]-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione has a molecular weight of 382.42 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-(aminomethyl)-3-pyridinyl]-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is sourced from PubChem (CID 11717890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).