2-(4-chlorophenyl)-6,7-dimethoxy-4-(2-pyrrolidin-1-ylethoxy)quinoline

C23H25ClN2O3 — CID 162671216

IUPAC2-(4-chlorophenyl)-6,7-dimethoxy-4-(2-pyrrolidin-1-ylethoxy)quinoline
SMILESCOc1cc2nc(-c3ccc(Cl)cc3)cc(OCCN3CCCC3)c2cc1OC
InChIInChI=1S/C23H25ClN2O3/c1-27-22-13-18-20(15-23(22)28-2)25-19(16-5-7-17(24)8-6-16)14-21(18)29-12-11-26-9-3-4-10-26/h5-8,13-15H,3-4,9-12H2,1-2H3
InChIKeyYVVFCKWCLBBLEP-UHFFFAOYSA-N
MW412.92 g/mol
LogP5.05
Rot. Bonds7

About 2-(4-chlorophenyl)-6,7-dimethoxy-4-(2-pyrrolidin-1-ylethoxy)quinoline

2-(4-chlorophenyl)-6,7-dimethoxy-4-(2-pyrrolidin-1-ylethoxy)quinoline (PubChem CID 162671216) has the molecular formula C23H25ClN2O3 and a molecular weight of 412.92 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6,7-dimethoxy-4-(2-pyrrolidin-1-ylethoxy)quinoline.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6,7-dimethoxy-4-(2-pyrrolidin-1-ylethoxy)quinoline
PubChem CID162671216
Molecular FormulaC23H25ClN2O3
Molecular Weight412.92 g/mol
Exact Mass412.16
IUPAC Name2-(4-chlorophenyl)-6,7-dimethoxy-4-(2-pyrrolidin-1-ylethoxy)quinoline
SMILESCOc1cc2nc(-c3ccc(Cl)cc3)cc(OCCN3CCCC3)c2cc1OC
InChIInChI=1S/C23H25ClN2O3/c1-27-22-13-18-20(15-23(22)28-2)25-19(16-5-7-17(24)8-6-16)14-21(18)29-12-11-26-9-3-4-10-26/h5-8,13-15H,3-4,9-12H2,1-2H3
InChIKeyYVVFCKWCLBBLEP-UHFFFAOYSA-N
XLogP5.05
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.92
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6,7-dimethoxy-4-(2-pyrrolidin-1-ylethoxy)quinoline?
The IUPAC name of 2-(4-chlorophenyl)-6,7-dimethoxy-4-(2-pyrrolidin-1-ylethoxy)quinoline (CID 162671216) is 2-(4-chlorophenyl)-6,7-dimethoxy-4-(2-pyrrolidin-1-ylethoxy)quinoline.
What is the SMILES notation for 2-(4-chlorophenyl)-6,7-dimethoxy-4-(2-pyrrolidin-1-ylethoxy)quinoline?
The canonical SMILES for 2-(4-chlorophenyl)-6,7-dimethoxy-4-(2-pyrrolidin-1-ylethoxy)quinoline is COc1cc2nc(-c3ccc(Cl)cc3)cc(OCCN3CCCC3)c2cc1OC.
What is the InChIKey of 2-(4-chlorophenyl)-6,7-dimethoxy-4-(2-pyrrolidin-1-ylethoxy)quinoline?
The InChIKey is YVVFCKWCLBBLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O3/c1-27-22-13-18-20(15-23(22)28-2)25-19(16-5-7-17(24)8-6-16)14-21(18)29-12-11-26-9-3-4-10-26/h5-8,13-15H,3-4,9-12H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-6,7-dimethoxy-4-(2-pyrrolidin-1-ylethoxy)quinoline?
2-(4-chlorophenyl)-6,7-dimethoxy-4-(2-pyrrolidin-1-ylethoxy)quinoline has a molecular weight of 412.92 g/mol, XLogP of 5.05, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6,7-dimethoxy-4-(2-pyrrolidin-1-ylethoxy)quinoline is sourced from PubChem (CID 162671216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).