1-(2-methoxyethyl)-6-(oxolan-3-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one

C17H26N2O3 — CID 131661197

IUPAC1-(2-methoxyethyl)-6-(oxolan-3-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCOCCn1c2c(ccc1=O)CC(NCC1CCOC1)CC2
InChIInChI=1S/C17H26N2O3/c1-21-9-7-19-16-4-3-15(10-14(16)2-5-17(19)20)18-11-13-6-8-22-12-13/h2,5,13,15,18H,3-4,6-12H2,1H3
InChIKeyOQALBXYGWDSOBY-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.98
Rot. Bonds6

About 1-(2-methoxyethyl)-6-(oxolan-3-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one

1-(2-methoxyethyl)-6-(oxolan-3-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 131661197) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-6-(oxolan-3-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-6-(oxolan-3-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID131661197
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name1-(2-methoxyethyl)-6-(oxolan-3-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCOCCn1c2c(ccc1=O)CC(NCC1CCOC1)CC2
InChIInChI=1S/C17H26N2O3/c1-21-9-7-19-16-4-3-15(10-14(16)2-5-17(19)20)18-11-13-6-8-22-12-13/h2,5,13,15,18H,3-4,6-12H2,1H3
InChIKeyOQALBXYGWDSOBY-UHFFFAOYSA-N
XLogP0.98
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-6-(oxolan-3-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-6-(oxolan-3-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one (CID 131661197) is 1-(2-methoxyethyl)-6-(oxolan-3-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-6-(oxolan-3-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-6-(oxolan-3-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one is COCCn1c2c(ccc1=O)CC(NCC1CCOC1)CC2.
What is the InChIKey of 1-(2-methoxyethyl)-6-(oxolan-3-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is OQALBXYGWDSOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-21-9-7-19-16-4-3-15(10-14(16)2-5-17(19)20)18-11-13-6-8-22-12-13/h2,5,13,15,18H,3-4,6-12H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-6-(oxolan-3-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one?
1-(2-methoxyethyl)-6-(oxolan-3-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 306.41 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-6-(oxolan-3-ylmethylamino)-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 131661197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).