3-methyl-7-(4-methylquinolin-2-yl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

C17H19N3O2 — CID 56888587

IUPAC3-methyl-7-(4-methylquinolin-2-yl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESCc1cc(N2CCC3(CN(C)C(=O)O3)C2)nc2ccccc12
InChIInChI=1S/C17H19N3O2/c1-12-9-15(18-14-6-4-3-5-13(12)14)20-8-7-17(11-20)10-19(2)16(21)22-17/h3-6,9H,7-8,10-11H2,1-2H3
InChIKeyZLRPZUWKKJCLAL-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.57
Rot. Bonds1

About 3-methyl-7-(4-methylquinolin-2-yl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

3-methyl-7-(4-methylquinolin-2-yl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (PubChem CID 56888587) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 3-methyl-7-(4-methylquinolin-2-yl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name3-methyl-7-(4-methylquinolin-2-yl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
PubChem CID56888587
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name3-methyl-7-(4-methylquinolin-2-yl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESCc1cc(N2CCC3(CN(C)C(=O)O3)C2)nc2ccccc12
InChIInChI=1S/C17H19N3O2/c1-12-9-15(18-14-6-4-3-5-13(12)14)20-8-7-17(11-20)10-19(2)16(21)22-17/h3-6,9H,7-8,10-11H2,1-2H3
InChIKeyZLRPZUWKKJCLAL-UHFFFAOYSA-N
XLogP2.57
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(4-methylquinolin-2-yl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The IUPAC name of 3-methyl-7-(4-methylquinolin-2-yl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (CID 56888587) is 3-methyl-7-(4-methylquinolin-2-yl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.
What is the SMILES notation for 3-methyl-7-(4-methylquinolin-2-yl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The canonical SMILES for 3-methyl-7-(4-methylquinolin-2-yl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is Cc1cc(N2CCC3(CN(C)C(=O)O3)C2)nc2ccccc12.
What is the InChIKey of 3-methyl-7-(4-methylquinolin-2-yl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The InChIKey is ZLRPZUWKKJCLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-12-9-15(18-14-6-4-3-5-13(12)14)20-8-7-17(11-20)10-19(2)16(21)22-17/h3-6,9H,7-8,10-11H2,1-2H3.
What are the key properties of 3-methyl-7-(4-methylquinolin-2-yl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
3-methyl-7-(4-methylquinolin-2-yl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one has a molecular weight of 297.36 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(4-methylquinolin-2-yl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 56888587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).