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

C18H15FN4O2S — CID 54526762

IUPAC7-(ethylamino)-6-fluoro-9-(2-methyl-4-pyridinyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESCCNc1cc2c(cc1F)c(=O)c1c(=O)[nH]sc1n2-c1ccnc(C)c1
InChIInChI=1S/C18H15FN4O2S/c1-3-20-13-8-14-11(7-12(13)19)16(24)15-17(25)22-26-18(15)23(14)10-4-5-21-9(2)6-10/h4-8,20H,3H2,1-2H3,(H,22,25)
InChIKeyYTQXHESNQDKKQE-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.17
Rot. Bonds3

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

7-(ethylamino)-6-fluoro-9-(2-methyl-4-pyridinyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (PubChem CID 54526762) has the molecular formula C18H15FN4O2S and a molecular weight of 370.41 g/mol. Its IUPAC name is 7-(ethylamino)-6-fluoro-9-(2-methyl-4-pyridinyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.

Molecular Properties

Compound Name7-(ethylamino)-6-fluoro-9-(2-methyl-4-pyridinyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
PubChem CID54526762
Molecular FormulaC18H15FN4O2S
Molecular Weight370.41 g/mol
Exact Mass370.09
IUPAC Name7-(ethylamino)-6-fluoro-9-(2-methyl-4-pyridinyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESCCNc1cc2c(cc1F)c(=O)c1c(=O)[nH]sc1n2-c1ccnc(C)c1
InChIInChI=1S/C18H15FN4O2S/c1-3-20-13-8-14-11(7-12(13)19)16(24)15-17(25)22-26-18(15)23(14)10-4-5-21-9(2)6-10/h4-8,20H,3H2,1-2H3,(H,22,25)
InChIKeyYTQXHESNQDKKQE-UHFFFAOYSA-N
XLogP3.17
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(ethylamino)-6-fluoro-9-(2-methyl-4-pyridinyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The IUPAC name of 7-(ethylamino)-6-fluoro-9-(2-methyl-4-pyridinyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (CID 54526762) is 7-(ethylamino)-6-fluoro-9-(2-methyl-4-pyridinyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.
What is the SMILES notation for 7-(ethylamino)-6-fluoro-9-(2-methyl-4-pyridinyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The canonical SMILES for 7-(ethylamino)-6-fluoro-9-(2-methyl-4-pyridinyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is CCNc1cc2c(cc1F)c(=O)c1c(=O)[nH]sc1n2-c1ccnc(C)c1.
What is the InChIKey of 7-(ethylamino)-6-fluoro-9-(2-methyl-4-pyridinyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The InChIKey is YTQXHESNQDKKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2S/c1-3-20-13-8-14-11(7-12(13)19)16(24)15-17(25)22-26-18(15)23(14)10-4-5-21-9(2)6-10/h4-8,20H,3H2,1-2H3,(H,22,25).
What are the key properties of 7-(ethylamino)-6-fluoro-9-(2-methyl-4-pyridinyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
7-(ethylamino)-6-fluoro-9-(2-methyl-4-pyridinyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione has a molecular weight of 370.41 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(ethylamino)-6-fluoro-9-(2-methyl-4-pyridinyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is sourced from PubChem (CID 54526762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).