5-chloro-N-[(6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-yl)methyl]-8-methylquinolin-2-amine

C18H21ClN2O2S — CID 154871800

IUPAC5-chloro-N-[(6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-yl)methyl]-8-methylquinolin-2-amine
SMILESCc1ccc(Cl)c2ccc(NCC3CC34CCS(=O)(=O)CC4)nc12
InChIInChI=1S/C18H21ClN2O2S/c1-12-2-4-15(19)14-3-5-16(21-17(12)14)20-11-13-10-18(13)6-8-24(22,23)9-7-18/h2-5,13H,6-11H2,1H3,(H,20,21)
InChIKeyYXKMGNNOBLFJOI-UHFFFAOYSA-N
MW364.90 g/mol
LogP3.82
Rot. Bonds3

About 5-chloro-N-[(6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-yl)methyl]-8-methylquinolin-2-amine

5-chloro-N-[(6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-yl)methyl]-8-methylquinolin-2-amine (PubChem CID 154871800) has the molecular formula C18H21ClN2O2S and a molecular weight of 364.90 g/mol. Its IUPAC name is 5-chloro-N-[(6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-yl)methyl]-8-methylquinolin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-yl)methyl]-8-methylquinolin-2-amine
PubChem CID154871800
Molecular FormulaC18H21ClN2O2S
Molecular Weight364.90 g/mol
Exact Mass364.10
IUPAC Name5-chloro-N-[(6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-yl)methyl]-8-methylquinolin-2-amine
SMILESCc1ccc(Cl)c2ccc(NCC3CC34CCS(=O)(=O)CC4)nc12
InChIInChI=1S/C18H21ClN2O2S/c1-12-2-4-15(19)14-3-5-16(21-17(12)14)20-11-13-10-18(13)6-8-24(22,23)9-7-18/h2-5,13H,6-11H2,1H3,(H,20,21)
InChIKeyYXKMGNNOBLFJOI-UHFFFAOYSA-N
XLogP3.82
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.90
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-yl)methyl]-8-methylquinolin-2-amine?
The IUPAC name of 5-chloro-N-[(6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-yl)methyl]-8-methylquinolin-2-amine (CID 154871800) is 5-chloro-N-[(6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-yl)methyl]-8-methylquinolin-2-amine.
What is the SMILES notation for 5-chloro-N-[(6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-yl)methyl]-8-methylquinolin-2-amine?
The canonical SMILES for 5-chloro-N-[(6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-yl)methyl]-8-methylquinolin-2-amine is Cc1ccc(Cl)c2ccc(NCC3CC34CCS(=O)(=O)CC4)nc12.
What is the InChIKey of 5-chloro-N-[(6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-yl)methyl]-8-methylquinolin-2-amine?
The InChIKey is YXKMGNNOBLFJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2S/c1-12-2-4-15(19)14-3-5-16(21-17(12)14)20-11-13-10-18(13)6-8-24(22,23)9-7-18/h2-5,13H,6-11H2,1H3,(H,20,21).
What are the key properties of 5-chloro-N-[(6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-yl)methyl]-8-methylquinolin-2-amine?
5-chloro-N-[(6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-yl)methyl]-8-methylquinolin-2-amine has a molecular weight of 364.90 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(6,6-dioxo-6λ6-thiaspiro[2.5]octan-2-yl)methyl]-8-methylquinolin-2-amine is sourced from PubChem (CID 154871800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).