1-[2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]ethyl]-2-methylimidazo[4,5-c]quinolin-4-amine

C18H23N5O3S — CID 23450084

IUPAC1-[2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]ethyl]-2-methylimidazo[4,5-c]quinolin-4-amine
SMILESCc1nc2c(N)nc3ccccc3c2n1CCOCCN1CCCS1(=O)=O
InChIInChI=1S/C18H23N5O3S/c1-13-20-16-17(14-5-2-3-6-15(14)21-18(16)19)23(13)9-11-26-10-8-22-7-4-12-27(22,24)25/h2-3,5-6H,4,7-12H2,1H3,(H2,19,21)
InChIKeyRPKGWDSIRXYWCM-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.53
Rot. Bonds6

About 1-[2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]ethyl]-2-methylimidazo[4,5-c]quinolin-4-amine

1-[2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]ethyl]-2-methylimidazo[4,5-c]quinolin-4-amine (PubChem CID 23450084) has the molecular formula C18H23N5O3S and a molecular weight of 389.48 g/mol. Its IUPAC name is 1-[2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]ethyl]-2-methylimidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name1-[2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]ethyl]-2-methylimidazo[4,5-c]quinolin-4-amine
PubChem CID23450084
Molecular FormulaC18H23N5O3S
Molecular Weight389.48 g/mol
Exact Mass389.15
IUPAC Name1-[2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]ethyl]-2-methylimidazo[4,5-c]quinolin-4-amine
SMILESCc1nc2c(N)nc3ccccc3c2n1CCOCCN1CCCS1(=O)=O
InChIInChI=1S/C18H23N5O3S/c1-13-20-16-17(14-5-2-3-6-15(14)21-18(16)19)23(13)9-11-26-10-8-22-7-4-12-27(22,24)25/h2-3,5-6H,4,7-12H2,1H3,(H2,19,21)
InChIKeyRPKGWDSIRXYWCM-UHFFFAOYSA-N
XLogP1.53
TPSA103.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]ethyl]-2-methylimidazo[4,5-c]quinolin-4-amine 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 1-[2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]ethyl]-2-methylimidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 1-[2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]ethyl]-2-methylimidazo[4,5-c]quinolin-4-amine (CID 23450084) is 1-[2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]ethyl]-2-methylimidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 1-[2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]ethyl]-2-methylimidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 1-[2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]ethyl]-2-methylimidazo[4,5-c]quinolin-4-amine is Cc1nc2c(N)nc3ccccc3c2n1CCOCCN1CCCS1(=O)=O.
What is the InChIKey of 1-[2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]ethyl]-2-methylimidazo[4,5-c]quinolin-4-amine?
The InChIKey is RPKGWDSIRXYWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3S/c1-13-20-16-17(14-5-2-3-6-15(14)21-18(16)19)23(13)9-11-26-10-8-22-7-4-12-27(22,24)25/h2-3,5-6H,4,7-12H2,1H3,(H2,19,21).
What are the key properties of 1-[2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]ethyl]-2-methylimidazo[4,5-c]quinolin-4-amine?
1-[2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]ethyl]-2-methylimidazo[4,5-c]quinolin-4-amine has a molecular weight of 389.48 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]ethyl]-2-methylimidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 23450084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).