2-[(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)oxy]-1-morpholin-4-ylethanone

C19H22N4O3S — CID 59868939

IUPAC2-[(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)oxy]-1-morpholin-4-ylethanone
SMILESCCCc1nc2c(N)nc3cc(OCC(=O)N4CCOCC4)ccc3c2s1
InChIInChI=1S/C19H22N4O3S/c1-2-3-15-22-17-18(27-15)13-5-4-12(10-14(13)21-19(17)20)26-11-16(24)23-6-8-25-9-7-23/h4-5,10H,2-3,6-9,11H2,1H3,(H2,20,21)
InChIKeyHUKLLJZYVTXHDL-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.62
Rot. Bonds5

About 2-[(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)oxy]-1-morpholin-4-ylethanone

2-[(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)oxy]-1-morpholin-4-ylethanone (PubChem CID 59868939) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 2-[(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)oxy]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)oxy]-1-morpholin-4-ylethanone
PubChem CID59868939
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name2-[(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)oxy]-1-morpholin-4-ylethanone
SMILESCCCc1nc2c(N)nc3cc(OCC(=O)N4CCOCC4)ccc3c2s1
InChIInChI=1S/C19H22N4O3S/c1-2-3-15-22-17-18(27-15)13-5-4-12(10-14(13)21-19(17)20)26-11-16(24)23-6-8-25-9-7-23/h4-5,10H,2-3,6-9,11H2,1H3,(H2,20,21)
InChIKeyHUKLLJZYVTXHDL-UHFFFAOYSA-N
XLogP2.62
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)oxy]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)oxy]-1-morpholin-4-ylethanone (CID 59868939) is 2-[(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)oxy]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)oxy]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)oxy]-1-morpholin-4-ylethanone is CCCc1nc2c(N)nc3cc(OCC(=O)N4CCOCC4)ccc3c2s1.
What is the InChIKey of 2-[(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)oxy]-1-morpholin-4-ylethanone?
The InChIKey is HUKLLJZYVTXHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-2-3-15-22-17-18(27-15)13-5-4-12(10-14(13)21-19(17)20)26-11-16(24)23-6-8-25-9-7-23/h4-5,10H,2-3,6-9,11H2,1H3,(H2,20,21).
What are the key properties of 2-[(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)oxy]-1-morpholin-4-ylethanone?
2-[(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)oxy]-1-morpholin-4-ylethanone has a molecular weight of 386.48 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-2-propyl-[1,3]thiazolo[4,5-c]quinolin-7-yl)oxy]-1-morpholin-4-ylethanone is sourced from PubChem (CID 59868939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).