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

C20H24ClFN4O2S — CID 66742002

IUPAC7-[3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione;hydrochloride
SMILESCC(C)(N)C1CCN(c2cc3c(cc2F)c(=O)c2c(=O)[nH]sc2n3C2CC2)C1.Cl
InChIInChI=1S/C20H23FN4O2S.ClH/c1-20(2,22)10-5-6-24(9-10)15-8-14-12(7-13(15)21)17(26)16-18(27)23-28-19(16)25(14)11-3-4-11;/h7-8,10-11H,3-6,9,22H2,1-2H3,(H,23,27);1H
InChIKeyHSNMFYWZGVXTTJ-UHFFFAOYSA-N
MW438.96 g/mol
LogP3.36
Rot. Bonds3

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

7-[3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione;hydrochloride (PubChem CID 66742002) has the molecular formula C20H24ClFN4O2S and a molecular weight of 438.96 g/mol. Its IUPAC name is 7-[3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione;hydrochloride.

Molecular Properties

Compound Name7-[3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione;hydrochloride
PubChem CID66742002
Molecular FormulaC20H24ClFN4O2S
Molecular Weight438.96 g/mol
Exact Mass438.13
IUPAC Name7-[3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione;hydrochloride
SMILESCC(C)(N)C1CCN(c2cc3c(cc2F)c(=O)c2c(=O)[nH]sc2n3C2CC2)C1.Cl
InChIInChI=1S/C20H23FN4O2S.ClH/c1-20(2,22)10-5-6-24(9-10)15-8-14-12(7-13(15)21)17(26)16-18(27)23-28-19(16)25(14)11-3-4-11;/h7-8,10-11H,3-6,9,22H2,1-2H3,(H,23,27);1H
InChIKeyHSNMFYWZGVXTTJ-UHFFFAOYSA-N
XLogP3.36
TPSA84.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-[3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione;hydrochloride with MolForge

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Related Compounds

7-[(3R)-3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-9-cyclopropyl-8-(difluoromethoxy)-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 24959485
9-cyclopropyl-6,7-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 14668979
9-cyclopropyl-6-fluoro-7-(4-methoxyiminopiperidin-1-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 11589452
N-[1-(9-cyclopropyl-6-fluoro-3,4-dioxo-[1,2]thiazolo[5,4-b]quinolin-7-yl)azetidin-3-yl]-2,2,2-trifluoro-N-methylacetamide
CID 10027065
N-[1-(9-cyclopropyl-6-fluoro-3,4-dioxo-[1,2]thiazolo[5,4-b]quinolin-7-yl)azetidin-3-yl]-N-ethyl-2,2,2-trifluoroacetamide
CID 10389972
9-cyclopropyl-7-(diazepin-1-yl)-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 19981974
9-cyclopropyl-7-[3-[2-(cyclopropylamino)propan-2-yl]pyrrolidin-1-yl]-6-fluoro-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione;hydrochloride
CID 53238831
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
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
9-cyclopropyl-6-fluoro-8-methoxy-7-[(3R)-3-[2-(2-methylpropylamino)propan-2-yl]pyrrolidin-1-yl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 53238830
9-cyclopropyl-6-fluoro-7-[4-(piperidin-1-ylmethyl)phenyl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 58426798
7-[3-(aminomethyl)-4-phenylmethoxyiminopyrrolidin-1-yl]-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 91070208

Frequently Asked Questions

What is the IUPAC name of 7-[3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione;hydrochloride?
The IUPAC name of 7-[3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione;hydrochloride (CID 66742002) is 7-[3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione;hydrochloride.
What is the SMILES notation for 7-[3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione;hydrochloride?
The canonical SMILES for 7-[3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione;hydrochloride is CC(C)(N)C1CCN(c2cc3c(cc2F)c(=O)c2c(=O)[nH]sc2n3C2CC2)C1.Cl.
What is the InChIKey of 7-[3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione;hydrochloride?
The InChIKey is HSNMFYWZGVXTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2S.ClH/c1-20(2,22)10-5-6-24(9-10)15-8-14-12(7-13(15)21)17(26)16-18(27)23-28-19(16)25(14)11-3-4-11;/h7-8,10-11H,3-6,9,22H2,1-2H3,(H,23,27);1H.
What are the key properties of 7-[3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione;hydrochloride?
7-[3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione;hydrochloride has a molecular weight of 438.96 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione;hydrochloride is sourced from PubChem (CID 66742002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).