1-[6-(4-chlorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine

C22H19ClN4O2 — CID 70733282

IUPAC1-[6-(4-chlorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine
SMILESCN(Cc1ncc[nH]1)Cc1cc2cc3c(cc2nc1-c1ccc(Cl)cc1)OCO3
InChIInChI=1S/C22H19ClN4O2/c1-27(12-21-24-6-7-25-21)11-16-8-15-9-19-20(29-13-28-19)10-18(15)26-22(16)14-2-4-17(23)5-3-14/h2-10H,11-13H2,1H3,(H,24,25)
InChIKeyQHRAPQHVRBJKCB-UHFFFAOYSA-N
MW406.87 g/mol
LogP4.64
Rot. Bonds5

About 1-[6-(4-chlorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine

1-[6-(4-chlorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine (PubChem CID 70733282) has the molecular formula C22H19ClN4O2 and a molecular weight of 406.87 g/mol. Its IUPAC name is 1-[6-(4-chlorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-(4-chlorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine
PubChem CID70733282
Molecular FormulaC22H19ClN4O2
Molecular Weight406.87 g/mol
Exact Mass406.12
IUPAC Name1-[6-(4-chlorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine
SMILESCN(Cc1ncc[nH]1)Cc1cc2cc3c(cc2nc1-c1ccc(Cl)cc1)OCO3
InChIInChI=1S/C22H19ClN4O2/c1-27(12-21-24-6-7-25-21)11-16-8-15-9-19-20(29-13-28-19)10-18(15)26-22(16)14-2-4-17(23)5-3-14/h2-10H,11-13H2,1H3,(H,24,25)
InChIKeyQHRAPQHVRBJKCB-UHFFFAOYSA-N
XLogP4.64
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[6-(4-chlorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine 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-[6-(4-chlorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine?
The IUPAC name of 1-[6-(4-chlorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine (CID 70733282) is 1-[6-(4-chlorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine.
What is the SMILES notation for 1-[6-(4-chlorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine?
The canonical SMILES for 1-[6-(4-chlorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine is CN(Cc1ncc[nH]1)Cc1cc2cc3c(cc2nc1-c1ccc(Cl)cc1)OCO3.
What is the InChIKey of 1-[6-(4-chlorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine?
The InChIKey is QHRAPQHVRBJKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2/c1-27(12-21-24-6-7-25-21)11-16-8-15-9-19-20(29-13-28-19)10-18(15)26-22(16)14-2-4-17(23)5-3-14/h2-10H,11-13H2,1H3,(H,24,25).
What are the key properties of 1-[6-(4-chlorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine?
1-[6-(4-chlorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine has a molecular weight of 406.87 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-chlorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine is sourced from PubChem (CID 70733282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).