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

C18H13FN4O2S — CID 19981974

IUPAC9-cyclopropyl-7-(diazepin-1-yl)-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESO=c1[nH]sc2c1c(=O)c1cc(F)c(N3C=CC=CC=N3)cc1n2C1CC1
InChIInChI=1S/C18H13FN4O2S/c19-12-8-11-13(9-14(12)22-7-3-1-2-6-20-22)23(10-4-5-10)18-15(16(11)24)17(25)21-26-18/h1-3,6-10H,4-5H2,(H,21,25)
InChIKeyUPLSOSGMNXNKEX-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.25
Rot. Bonds2

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

9-cyclopropyl-7-(diazepin-1-yl)-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (PubChem CID 19981974) has the molecular formula C18H13FN4O2S and a molecular weight of 368.39 g/mol. Its IUPAC name is 9-cyclopropyl-7-(diazepin-1-yl)-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.

Molecular Properties

Compound Name9-cyclopropyl-7-(diazepin-1-yl)-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
PubChem CID19981974
Molecular FormulaC18H13FN4O2S
Molecular Weight368.39 g/mol
Exact Mass368.07
IUPAC Name9-cyclopropyl-7-(diazepin-1-yl)-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESO=c1[nH]sc2c1c(=O)c1cc(F)c(N3C=CC=CC=N3)cc1n2C1CC1
InChIInChI=1S/C18H13FN4O2S/c19-12-8-11-13(9-14(12)22-7-3-1-2-6-20-22)23(10-4-5-10)18-15(16(11)24)17(25)21-26-18/h1-3,6-10H,4-5H2,(H,21,25)
InChIKeyUPLSOSGMNXNKEX-UHFFFAOYSA-N
XLogP3.25
TPSA70.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-7-(diazepin-1-yl)-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The IUPAC name of 9-cyclopropyl-7-(diazepin-1-yl)-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (CID 19981974) is 9-cyclopropyl-7-(diazepin-1-yl)-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.
What is the SMILES notation for 9-cyclopropyl-7-(diazepin-1-yl)-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The canonical SMILES for 9-cyclopropyl-7-(diazepin-1-yl)-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is O=c1[nH]sc2c1c(=O)c1cc(F)c(N3C=CC=CC=N3)cc1n2C1CC1.
What is the InChIKey of 9-cyclopropyl-7-(diazepin-1-yl)-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The InChIKey is UPLSOSGMNXNKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O2S/c19-12-8-11-13(9-14(12)22-7-3-1-2-6-20-22)23(10-4-5-10)18-15(16(11)24)17(25)21-26-18/h1-3,6-10H,4-5H2,(H,21,25).
What are the key properties of 9-cyclopropyl-7-(diazepin-1-yl)-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
9-cyclopropyl-7-(diazepin-1-yl)-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione has a molecular weight of 368.39 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-7-(diazepin-1-yl)-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is sourced from PubChem (CID 19981974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).