7-[[ethyl(2-hydroxyethyl)amino]methyl]-5-(2-piperidin-1-ylethyl)-[1,3]dioxolo[4,5-g]quinolin-6-one

C22H31N3O4 — CID 56919305

IUPAC7-[[ethyl(2-hydroxyethyl)amino]methyl]-5-(2-piperidin-1-ylethyl)-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESCCN(CCO)Cc1cc2cc3c(cc2n(CCN2CCCCC2)c1=O)OCO3
InChIInChI=1S/C22H31N3O4/c1-2-23(10-11-26)15-18-12-17-13-20-21(29-16-28-20)14-19(17)25(22(18)27)9-8-24-6-4-3-5-7-24/h12-14,26H,2-11,15-16H2,1H3
InChIKeyRPVJAOPCYBUPRT-UHFFFAOYSA-N
MW401.51 g/mol
LogP2.03
Rot. Bonds8

About 7-[[ethyl(2-hydroxyethyl)amino]methyl]-5-(2-piperidin-1-ylethyl)-[1,3]dioxolo[4,5-g]quinolin-6-one

7-[[ethyl(2-hydroxyethyl)amino]methyl]-5-(2-piperidin-1-ylethyl)-[1,3]dioxolo[4,5-g]quinolin-6-one (PubChem CID 56919305) has the molecular formula C22H31N3O4 and a molecular weight of 401.51 g/mol. Its IUPAC name is 7-[[ethyl(2-hydroxyethyl)amino]methyl]-5-(2-piperidin-1-ylethyl)-[1,3]dioxolo[4,5-g]quinolin-6-one.

Molecular Properties

Compound Name7-[[ethyl(2-hydroxyethyl)amino]methyl]-5-(2-piperidin-1-ylethyl)-[1,3]dioxolo[4,5-g]quinolin-6-one
PubChem CID56919305
Molecular FormulaC22H31N3O4
Molecular Weight401.51 g/mol
Exact Mass401.23
IUPAC Name7-[[ethyl(2-hydroxyethyl)amino]methyl]-5-(2-piperidin-1-ylethyl)-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESCCN(CCO)Cc1cc2cc3c(cc2n(CCN2CCCCC2)c1=O)OCO3
InChIInChI=1S/C22H31N3O4/c1-2-23(10-11-26)15-18-12-17-13-20-21(29-16-28-20)14-19(17)25(22(18)27)9-8-24-6-4-3-5-7-24/h12-14,26H,2-11,15-16H2,1H3
InChIKeyRPVJAOPCYBUPRT-UHFFFAOYSA-N
XLogP2.03
TPSA67.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-[[ethyl(2-hydroxyethyl)amino]methyl]-5-(2-piperidin-1-ylethyl)-[1,3]dioxolo[4,5-g]quinolin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[[ethyl(2-hydroxyethyl)amino]methyl]-5-(2-piperidin-1-ylethyl)-[1,3]dioxolo[4,5-g]quinolin-6-one?
The IUPAC name of 7-[[ethyl(2-hydroxyethyl)amino]methyl]-5-(2-piperidin-1-ylethyl)-[1,3]dioxolo[4,5-g]quinolin-6-one (CID 56919305) is 7-[[ethyl(2-hydroxyethyl)amino]methyl]-5-(2-piperidin-1-ylethyl)-[1,3]dioxolo[4,5-g]quinolin-6-one.
What is the SMILES notation for 7-[[ethyl(2-hydroxyethyl)amino]methyl]-5-(2-piperidin-1-ylethyl)-[1,3]dioxolo[4,5-g]quinolin-6-one?
The canonical SMILES for 7-[[ethyl(2-hydroxyethyl)amino]methyl]-5-(2-piperidin-1-ylethyl)-[1,3]dioxolo[4,5-g]quinolin-6-one is CCN(CCO)Cc1cc2cc3c(cc2n(CCN2CCCCC2)c1=O)OCO3.
What is the InChIKey of 7-[[ethyl(2-hydroxyethyl)amino]methyl]-5-(2-piperidin-1-ylethyl)-[1,3]dioxolo[4,5-g]quinolin-6-one?
The InChIKey is RPVJAOPCYBUPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O4/c1-2-23(10-11-26)15-18-12-17-13-20-21(29-16-28-20)14-19(17)25(22(18)27)9-8-24-6-4-3-5-7-24/h12-14,26H,2-11,15-16H2,1H3.
What are the key properties of 7-[[ethyl(2-hydroxyethyl)amino]methyl]-5-(2-piperidin-1-ylethyl)-[1,3]dioxolo[4,5-g]quinolin-6-one?
7-[[ethyl(2-hydroxyethyl)amino]methyl]-5-(2-piperidin-1-ylethyl)-[1,3]dioxolo[4,5-g]quinolin-6-one has a molecular weight of 401.51 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[ethyl(2-hydroxyethyl)amino]methyl]-5-(2-piperidin-1-ylethyl)-[1,3]dioxolo[4,5-g]quinolin-6-one is sourced from PubChem (CID 56919305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).