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

C25H24FN3O4S — CID 58426900

IUPAC9-cyclopropyl-6-fluoro-7-[4-(2-morpholin-4-ylethoxy)phenyl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESO=c1[nH]sc2c1c(=O)c1cc(F)c(-c3ccc(OCCN4CCOCC4)cc3)cc1n2C1CC1
InChIInChI=1S/C25H24FN3O4S/c26-20-13-19-21(29(16-3-4-16)25-22(23(19)30)24(31)27-34-25)14-18(20)15-1-5-17(6-2-15)33-12-9-28-7-10-32-11-8-28/h1-2,5-6,13-14,16H,3-4,7-12H2,(H,27,31)
InChIKeyNOCNWYRRXXCBGF-UHFFFAOYSA-N
MW481.55 g/mol
LogP3.76
Rot. Bonds6

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

9-cyclopropyl-6-fluoro-7-[4-(2-morpholin-4-ylethoxy)phenyl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (PubChem CID 58426900) has the molecular formula C25H24FN3O4S and a molecular weight of 481.55 g/mol. Its IUPAC name is 9-cyclopropyl-6-fluoro-7-[4-(2-morpholin-4-ylethoxy)phenyl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.

Molecular Properties

Compound Name9-cyclopropyl-6-fluoro-7-[4-(2-morpholin-4-ylethoxy)phenyl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
PubChem CID58426900
Molecular FormulaC25H24FN3O4S
Molecular Weight481.55 g/mol
Exact Mass481.15
IUPAC Name9-cyclopropyl-6-fluoro-7-[4-(2-morpholin-4-ylethoxy)phenyl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESO=c1[nH]sc2c1c(=O)c1cc(F)c(-c3ccc(OCCN4CCOCC4)cc3)cc1n2C1CC1
InChIInChI=1S/C25H24FN3O4S/c26-20-13-19-21(29(16-3-4-16)25-22(23(19)30)24(31)27-34-25)14-18(20)15-1-5-17(6-2-15)33-12-9-28-7-10-32-11-8-28/h1-2,5-6,13-14,16H,3-4,7-12H2,(H,27,31)
InChIKeyNOCNWYRRXXCBGF-UHFFFAOYSA-N
XLogP3.76
TPSA76.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

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
4-[2-[4-(3-fluoro-4-methylphenyl)phenoxy]ethyl]morpholine
CID 123641546
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
7-(3-amino-4-fluorophenyl)-9-cyclopropyl-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 11996804
2-(3,4-difluorophenyl)-6-(2-morpholin-4-ylethoxy)-3-phenylinden-1-one
CID 51002326
2-(1-benzothiophen-3-yl)-6-(2-morpholin-4-ylethoxy)-3-phenylinden-1-one
CID 51002094
1,2-dichloro-6-(2-morpholin-4-ylethoxy)-10H-acridin-9-one
CID 155537258
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
8-(2-morpholin-4-ylethoxy)-3H-benzo[g]quinazolin-4-one
CID 141053579
4-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]morpholine
CID 30983916
7-[(3R)-3-[amino(1,3-oxazol-2-yl)methyl]pyrrolidin-1-yl]-9-cyclopropyl-6-fluoro-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione;hydrochloride
CID 53236097
4-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]ethyl]morpholine
CID 82248212

Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-6-fluoro-7-[4-(2-morpholin-4-ylethoxy)phenyl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The IUPAC name of 9-cyclopropyl-6-fluoro-7-[4-(2-morpholin-4-ylethoxy)phenyl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (CID 58426900) is 9-cyclopropyl-6-fluoro-7-[4-(2-morpholin-4-ylethoxy)phenyl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.
What is the SMILES notation for 9-cyclopropyl-6-fluoro-7-[4-(2-morpholin-4-ylethoxy)phenyl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The canonical SMILES for 9-cyclopropyl-6-fluoro-7-[4-(2-morpholin-4-ylethoxy)phenyl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is O=c1[nH]sc2c1c(=O)c1cc(F)c(-c3ccc(OCCN4CCOCC4)cc3)cc1n2C1CC1.
What is the InChIKey of 9-cyclopropyl-6-fluoro-7-[4-(2-morpholin-4-ylethoxy)phenyl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The InChIKey is NOCNWYRRXXCBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O4S/c26-20-13-19-21(29(16-3-4-16)25-22(23(19)30)24(31)27-34-25)14-18(20)15-1-5-17(6-2-15)33-12-9-28-7-10-32-11-8-28/h1-2,5-6,13-14,16H,3-4,7-12H2,(H,27,31).
What are the key properties of 9-cyclopropyl-6-fluoro-7-[4-(2-morpholin-4-ylethoxy)phenyl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
9-cyclopropyl-6-fluoro-7-[4-(2-morpholin-4-ylethoxy)phenyl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione has a molecular weight of 481.55 g/mol, XLogP of 3.76, 6 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-[4-(2-morpholin-4-ylethoxy)phenyl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is sourced from PubChem (CID 58426900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).