[3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-6-yl] 2-aminoacetate;hydrochloride

C17H18ClN3O4 — CID 175590062

IUPAC[3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-6-yl] 2-aminoacetate;hydrochloride
SMILESCc1nc2ccc(OC(=O)CN)cc2cc1C1CCC(=O)NC1=O.Cl
InChIInChI=1S/C17H17N3O4.ClH/c1-9-13(12-3-5-15(21)20-17(12)23)7-10-6-11(24-16(22)8-18)2-4-14(10)19-9;/h2,4,6-7,12H,3,5,8,18H2,1H3,(H,20,21,23);1H
InChIKeyPKNRHFAGUMDGDG-UHFFFAOYSA-N
MW363.80 g/mol
LogP1.35
Rot. Bonds3

About [3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-6-yl] 2-aminoacetate;hydrochloride

[3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-6-yl] 2-aminoacetate;hydrochloride (PubChem CID 175590062) has the molecular formula C17H18ClN3O4 and a molecular weight of 363.80 g/mol. Its IUPAC name is [3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-6-yl] 2-aminoacetate;hydrochloride.

Molecular Properties

Compound Name[3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-6-yl] 2-aminoacetate;hydrochloride
PubChem CID175590062
Molecular FormulaC17H18ClN3O4
Molecular Weight363.80 g/mol
Exact Mass363.10
IUPAC Name[3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-6-yl] 2-aminoacetate;hydrochloride
SMILESCc1nc2ccc(OC(=O)CN)cc2cc1C1CCC(=O)NC1=O.Cl
InChIInChI=1S/C17H17N3O4.ClH/c1-9-13(12-3-5-15(21)20-17(12)23)7-10-6-11(24-16(22)8-18)2-4-14(10)19-9;/h2,4,6-7,12H,3,5,8,18H2,1H3,(H,20,21,23);1H
InChIKeyPKNRHFAGUMDGDG-UHFFFAOYSA-N
XLogP1.35
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-6-yl] 2-aminoacetate;hydrochloride?
The IUPAC name of [3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-6-yl] 2-aminoacetate;hydrochloride (CID 175590062) is [3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-6-yl] 2-aminoacetate;hydrochloride.
What is the SMILES notation for [3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-6-yl] 2-aminoacetate;hydrochloride?
The canonical SMILES for [3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-6-yl] 2-aminoacetate;hydrochloride is Cc1nc2ccc(OC(=O)CN)cc2cc1C1CCC(=O)NC1=O.Cl.
What is the InChIKey of [3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-6-yl] 2-aminoacetate;hydrochloride?
The InChIKey is PKNRHFAGUMDGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4.ClH/c1-9-13(12-3-5-15(21)20-17(12)23)7-10-6-11(24-16(22)8-18)2-4-14(10)19-9;/h2,4,6-7,12H,3,5,8,18H2,1H3,(H,20,21,23);1H.
What are the key properties of [3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-6-yl] 2-aminoacetate;hydrochloride?
[3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-6-yl] 2-aminoacetate;hydrochloride has a molecular weight of 363.80 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-6-yl] 2-aminoacetate;hydrochloride is sourced from PubChem (CID 175590062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).