2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-1-morpholin-4-ylethanone

C17H18N2O4S — CID 859517

IUPAC2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-1-morpholin-4-ylethanone
SMILESCc1cc2cc3c(cc2nc1SCC(=O)N1CCOCC1)OCO3
InChIInChI=1S/C17H18N2O4S/c1-11-6-12-7-14-15(23-10-22-14)8-13(12)18-17(11)24-9-16(20)19-2-4-21-5-3-19/h6-8H,2-5,9-10H2,1H3
InChIKeyBLWMANZCZCCMAS-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.22
Rot. Bonds3

About 2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-1-morpholin-4-ylethanone

2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-1-morpholin-4-ylethanone (PubChem CID 859517) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is 2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-1-morpholin-4-ylethanone
PubChem CID859517
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-1-morpholin-4-ylethanone
SMILESCc1cc2cc3c(cc2nc1SCC(=O)N1CCOCC1)OCO3
InChIInChI=1S/C17H18N2O4S/c1-11-6-12-7-14-15(23-10-22-14)8-13(12)18-17(11)24-9-16(20)19-2-4-21-5-3-19/h6-8H,2-5,9-10H2,1H3
InChIKeyBLWMANZCZCCMAS-UHFFFAOYSA-N
XLogP2.22
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-1-morpholin-4-ylethanone (CID 859517) is 2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-1-morpholin-4-ylethanone is Cc1cc2cc3c(cc2nc1SCC(=O)N1CCOCC1)OCO3.
What is the InChIKey of 2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-1-morpholin-4-ylethanone?
The InChIKey is BLWMANZCZCCMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-11-6-12-7-14-15(23-10-22-14)8-13(12)18-17(11)24-9-16(20)19-2-4-21-5-3-19/h6-8H,2-5,9-10H2,1H3.
What are the key properties of 2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-1-morpholin-4-ylethanone?
2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-1-morpholin-4-ylethanone has a molecular weight of 346.41 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 859517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).