[1-(9-cyclopropyl-6-fluoro-8-methoxy-4H-[1,2]thiazolo[5,4-b]quinolin-7-yl)azetidin-3-yl]methanamine

C18H21FN4OS — CID 91183727

IUPAC[1-(9-cyclopropyl-6-fluoro-8-methoxy-4H-[1,2]thiazolo[5,4-b]quinolin-7-yl)azetidin-3-yl]methanamine
SMILESCOc1c(N2CC(CN)C2)c(F)cc2c1N(C1CC1)c1sncc1C2
InChIInChI=1S/C18H21FN4OS/c1-24-17-15-11(5-14(19)16(17)22-8-10(6-20)9-22)4-12-7-21-25-18(12)23(15)13-2-3-13/h5,7,10,13H,2-4,6,8-9,20H2,1H3
InChIKeyZIXASSSMKUIANZ-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.89
Rot. Bonds4

About [1-(9-cyclopropyl-6-fluoro-8-methoxy-4H-[1,2]thiazolo[5,4-b]quinolin-7-yl)azetidin-3-yl]methanamine

[1-(9-cyclopropyl-6-fluoro-8-methoxy-4H-[1,2]thiazolo[5,4-b]quinolin-7-yl)azetidin-3-yl]methanamine (PubChem CID 91183727) has the molecular formula C18H21FN4OS and a molecular weight of 360.46 g/mol. Its IUPAC name is [1-(9-cyclopropyl-6-fluoro-8-methoxy-4H-[1,2]thiazolo[5,4-b]quinolin-7-yl)azetidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(9-cyclopropyl-6-fluoro-8-methoxy-4H-[1,2]thiazolo[5,4-b]quinolin-7-yl)azetidin-3-yl]methanamine
PubChem CID91183727
Molecular FormulaC18H21FN4OS
Molecular Weight360.46 g/mol
Exact Mass360.14
IUPAC Name[1-(9-cyclopropyl-6-fluoro-8-methoxy-4H-[1,2]thiazolo[5,4-b]quinolin-7-yl)azetidin-3-yl]methanamine
SMILESCOc1c(N2CC(CN)C2)c(F)cc2c1N(C1CC1)c1sncc1C2
InChIInChI=1S/C18H21FN4OS/c1-24-17-15-11(5-14(19)16(17)22-8-10(6-20)9-22)4-12-7-21-25-18(12)23(15)13-2-3-13/h5,7,10,13H,2-4,6,8-9,20H2,1H3
InChIKeyZIXASSSMKUIANZ-UHFFFAOYSA-N
XLogP2.89
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-[3-(aminomethyl)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-2,4-dihydroquinazolin-3-amine
CID 139960247
7-[(3S,4R)-3-amino-4-methylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-2,4-dihydroquinazolin-3-amine
CID 139960231
7-[3-(aminomethyl)pyrrolidin-1-yl]-5-cyclopropyl-8-fluoro-6-methoxy-[1,3]oxazolo[4,5-c]quinolin-4-one
CID 118446693
7-[(3S)-3-amino-3-(fluoromethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-2,3-dihydroquinolin-4-one
CID 67812024
3-amino-7-[(3S,4S)-3-(aminomethyl)-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxyquinazoline-2,4-dione;hydrochloride
CID 69078708
7-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-6-fluoro-8-methoxy-4-oxo-1-(2-phenylethyl)quinoline-3-carboxylic acid
CID 134814335
7-[(3S)-3-aminopiperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 11047030
7-[3-(aminomethyl)-3-hydroxypyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 67925413
3-amino-7-[(3S,4R)-3-(aminomethyl)-4-(trifluoromethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxyquinazoline-2,4-dione
CID 69076864
7-[4-amino-4-(hydroxymethyl)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 67800647
7-[(3R)-3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-9-cyclopropyl-6-fluoro-8-methoxy-3a,9a-dihydro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 134401437
1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-2,3-dihydroquinolin-4-one
CID 141383468

Frequently Asked Questions

What is the IUPAC name of [1-(9-cyclopropyl-6-fluoro-8-methoxy-4H-[1,2]thiazolo[5,4-b]quinolin-7-yl)azetidin-3-yl]methanamine?
The IUPAC name of [1-(9-cyclopropyl-6-fluoro-8-methoxy-4H-[1,2]thiazolo[5,4-b]quinolin-7-yl)azetidin-3-yl]methanamine (CID 91183727) is [1-(9-cyclopropyl-6-fluoro-8-methoxy-4H-[1,2]thiazolo[5,4-b]quinolin-7-yl)azetidin-3-yl]methanamine.
What is the SMILES notation for [1-(9-cyclopropyl-6-fluoro-8-methoxy-4H-[1,2]thiazolo[5,4-b]quinolin-7-yl)azetidin-3-yl]methanamine?
The canonical SMILES for [1-(9-cyclopropyl-6-fluoro-8-methoxy-4H-[1,2]thiazolo[5,4-b]quinolin-7-yl)azetidin-3-yl]methanamine is COc1c(N2CC(CN)C2)c(F)cc2c1N(C1CC1)c1sncc1C2.
What is the InChIKey of [1-(9-cyclopropyl-6-fluoro-8-methoxy-4H-[1,2]thiazolo[5,4-b]quinolin-7-yl)azetidin-3-yl]methanamine?
The InChIKey is ZIXASSSMKUIANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4OS/c1-24-17-15-11(5-14(19)16(17)22-8-10(6-20)9-22)4-12-7-21-25-18(12)23(15)13-2-3-13/h5,7,10,13H,2-4,6,8-9,20H2,1H3.
What are the key properties of [1-(9-cyclopropyl-6-fluoro-8-methoxy-4H-[1,2]thiazolo[5,4-b]quinolin-7-yl)azetidin-3-yl]methanamine?
[1-(9-cyclopropyl-6-fluoro-8-methoxy-4H-[1,2]thiazolo[5,4-b]quinolin-7-yl)azetidin-3-yl]methanamine has a molecular weight of 360.46 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(9-cyclopropyl-6-fluoro-8-methoxy-4H-[1,2]thiazolo[5,4-b]quinolin-7-yl)azetidin-3-yl]methanamine is sourced from PubChem (CID 91183727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).