2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylethanone

C18H22N2O4S — CID 653549

IUPAC2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylethanone
SMILESCOc1cc2cc(C)c(SCC(=O)N3CCOCC3)nc2cc1OC
InChIInChI=1S/C18H22N2O4S/c1-12-8-13-9-15(22-2)16(23-3)10-14(13)19-18(12)25-11-17(21)20-4-6-24-7-5-20/h8-10H,4-7,11H2,1-3H3
InChIKeyDRCZEKYITFIWAV-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.51
Rot. Bonds5

About 2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylethanone

2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylethanone (PubChem CID 653549) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylethanone
PubChem CID653549
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylethanone
SMILESCOc1cc2cc(C)c(SCC(=O)N3CCOCC3)nc2cc1OC
InChIInChI=1S/C18H22N2O4S/c1-12-8-13-9-15(22-2)16(23-3)10-14(13)19-18(12)25-11-17(21)20-4-6-24-7-5-20/h8-10H,4-7,11H2,1-3H3
InChIKeyDRCZEKYITFIWAV-UHFFFAOYSA-N
XLogP2.51
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylethanone?
The IUPAC name of 2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylethanone (CID 653549) is 2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylethanone is COc1cc2cc(C)c(SCC(=O)N3CCOCC3)nc2cc1OC.
What is the InChIKey of 2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylethanone?
The InChIKey is DRCZEKYITFIWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-12-8-13-9-15(22-2)16(23-3)10-14(13)19-18(12)25-11-17(21)20-4-6-24-7-5-20/h8-10H,4-7,11H2,1-3H3.
What are the key properties of 2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylethanone?
2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylethanone has a molecular weight of 362.45 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanyl-1-morpholin-4-ylethanone is sourced from PubChem (CID 653549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).