6-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile

C17H15N3O4S — CID 1450725

IUPAC6-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile
SMILESN#Cc1cc2cc3c(cc2nc1SCC(=O)N1CCOCC1)OCO3
InChIInChI=1S/C17H15N3O4S/c18-8-12-5-11-6-14-15(24-10-23-14)7-13(11)19-17(12)25-9-16(21)20-1-3-22-4-2-20/h5-7H,1-4,9-10H2
InChIKeyNBBPNOABAKNGMI-UHFFFAOYSA-N
MW357.39 g/mol
LogP1.79
Rot. Bonds3

About 6-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile

6-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile (PubChem CID 1450725) has the molecular formula C17H15N3O4S and a molecular weight of 357.39 g/mol. Its IUPAC name is 6-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile.

Molecular Properties

Compound Name6-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile
PubChem CID1450725
Molecular FormulaC17H15N3O4S
Molecular Weight357.39 g/mol
Exact Mass357.08
IUPAC Name6-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile
SMILESN#Cc1cc2cc3c(cc2nc1SCC(=O)N1CCOCC1)OCO3
InChIInChI=1S/C17H15N3O4S/c18-8-12-5-11-6-14-15(24-10-23-14)7-13(11)19-17(12)25-9-16(21)20-1-3-22-4-2-20/h5-7H,1-4,9-10H2
InChIKeyNBBPNOABAKNGMI-UHFFFAOYSA-N
XLogP1.79
TPSA84.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile?
The IUPAC name of 6-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile (CID 1450725) is 6-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile.
What is the SMILES notation for 6-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile?
The canonical SMILES for 6-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile is N#Cc1cc2cc3c(cc2nc1SCC(=O)N1CCOCC1)OCO3.
What is the InChIKey of 6-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile?
The InChIKey is NBBPNOABAKNGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S/c18-8-12-5-11-6-14-15(24-10-23-14)7-13(11)19-17(12)25-9-16(21)20-1-3-22-4-2-20/h5-7H,1-4,9-10H2.
What are the key properties of 6-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile?
6-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile has a molecular weight of 357.39 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile is sourced from PubChem (CID 1450725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).