7-[[3-(aminomethyl)-6-fluoro-3,4-dihydro-2H-quinolin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C18H19FN4OS — CID 166253748

IUPAC7-[[3-(aminomethyl)-6-fluoro-3,4-dihydro-2H-quinolin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cn2c(=O)cc(CN3CC(CN)Cc4cc(F)ccc43)nc2s1
InChIInChI=1S/C18H19FN4OS/c1-11-8-23-17(24)6-15(21-18(23)25-11)10-22-9-12(7-20)4-13-5-14(19)2-3-16(13)22/h2-3,5-6,8,12H,4,7,9-10,20H2,1H3
InChIKeyYSNKRSVEUINANA-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.34
Rot. Bonds3

About 7-[[3-(aminomethyl)-6-fluoro-3,4-dihydro-2H-quinolin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[3-(aminomethyl)-6-fluoro-3,4-dihydro-2H-quinolin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 166253748) has the molecular formula C18H19FN4OS and a molecular weight of 358.44 g/mol. Its IUPAC name is 7-[[3-(aminomethyl)-6-fluoro-3,4-dihydro-2H-quinolin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[3-(aminomethyl)-6-fluoro-3,4-dihydro-2H-quinolin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID166253748
Molecular FormulaC18H19FN4OS
Molecular Weight358.44 g/mol
Exact Mass358.13
IUPAC Name7-[[3-(aminomethyl)-6-fluoro-3,4-dihydro-2H-quinolin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cn2c(=O)cc(CN3CC(CN)Cc4cc(F)ccc43)nc2s1
InChIInChI=1S/C18H19FN4OS/c1-11-8-23-17(24)6-15(21-18(23)25-11)10-22-9-12(7-20)4-13-5-14(19)2-3-16(13)22/h2-3,5-6,8,12H,4,7,9-10,20H2,1H3
InChIKeyYSNKRSVEUINANA-UHFFFAOYSA-N
XLogP2.34
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[[3-(aminomethyl)-6-fluoro-3,4-dihydro-2H-quinolin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[3-(aminomethyl)-6-fluoro-3,4-dihydro-2H-quinolin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 166253748) is 7-[[3-(aminomethyl)-6-fluoro-3,4-dihydro-2H-quinolin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[3-(aminomethyl)-6-fluoro-3,4-dihydro-2H-quinolin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[3-(aminomethyl)-6-fluoro-3,4-dihydro-2H-quinolin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1cn2c(=O)cc(CN3CC(CN)Cc4cc(F)ccc43)nc2s1.
What is the InChIKey of 7-[[3-(aminomethyl)-6-fluoro-3,4-dihydro-2H-quinolin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is YSNKRSVEUINANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4OS/c1-11-8-23-17(24)6-15(21-18(23)25-11)10-22-9-12(7-20)4-13-5-14(19)2-3-16(13)22/h2-3,5-6,8,12H,4,7,9-10,20H2,1H3.
What are the key properties of 7-[[3-(aminomethyl)-6-fluoro-3,4-dihydro-2H-quinolin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[3-(aminomethyl)-6-fluoro-3,4-dihydro-2H-quinolin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 358.44 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-(aminomethyl)-6-fluoro-3,4-dihydro-2H-quinolin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 166253748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).