2-[3-chloro-4-(cyclopropylmethoxy)phenoxy]-N-ethylquinolin-6-amine

C21H21ClN2O2 — CID 68759944

IUPAC2-[3-chloro-4-(cyclopropylmethoxy)phenoxy]-N-ethylquinolin-6-amine
SMILESCCNc1ccc2nc(Oc3ccc(OCC4CC4)c(Cl)c3)ccc2c1
InChIInChI=1S/C21H21ClN2O2/c1-2-23-16-6-8-19-15(11-16)5-10-21(24-19)26-17-7-9-20(18(22)12-17)25-13-14-3-4-14/h5-12,14,23H,2-4,13H2,1H3
InChIKeyOLLQXVOVWFWVPP-UHFFFAOYSA-N
MW368.86 g/mol
LogP5.90
Rot. Bonds7

About 2-[3-chloro-4-(cyclopropylmethoxy)phenoxy]-N-ethylquinolin-6-amine

2-[3-chloro-4-(cyclopropylmethoxy)phenoxy]-N-ethylquinolin-6-amine (PubChem CID 68759944) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is 2-[3-chloro-4-(cyclopropylmethoxy)phenoxy]-N-ethylquinolin-6-amine.

Molecular Properties

Compound Name2-[3-chloro-4-(cyclopropylmethoxy)phenoxy]-N-ethylquinolin-6-amine
PubChem CID68759944
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC Name2-[3-chloro-4-(cyclopropylmethoxy)phenoxy]-N-ethylquinolin-6-amine
SMILESCCNc1ccc2nc(Oc3ccc(OCC4CC4)c(Cl)c3)ccc2c1
InChIInChI=1S/C21H21ClN2O2/c1-2-23-16-6-8-19-15(11-16)5-10-21(24-19)26-17-7-9-20(18(22)12-17)25-13-14-3-4-14/h5-12,14,23H,2-4,13H2,1H3
InChIKeyOLLQXVOVWFWVPP-UHFFFAOYSA-N
XLogP5.90
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.86
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-chloro-4-(cyclopropylmethoxy)phenoxy]-N-ethylquinolin-6-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 2-[3-chloro-4-(cyclopropylmethoxy)phenoxy]-N-ethylquinolin-6-amine?
The IUPAC name of 2-[3-chloro-4-(cyclopropylmethoxy)phenoxy]-N-ethylquinolin-6-amine (CID 68759944) is 2-[3-chloro-4-(cyclopropylmethoxy)phenoxy]-N-ethylquinolin-6-amine.
What is the SMILES notation for 2-[3-chloro-4-(cyclopropylmethoxy)phenoxy]-N-ethylquinolin-6-amine?
The canonical SMILES for 2-[3-chloro-4-(cyclopropylmethoxy)phenoxy]-N-ethylquinolin-6-amine is CCNc1ccc2nc(Oc3ccc(OCC4CC4)c(Cl)c3)ccc2c1.
What is the InChIKey of 2-[3-chloro-4-(cyclopropylmethoxy)phenoxy]-N-ethylquinolin-6-amine?
The InChIKey is OLLQXVOVWFWVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c1-2-23-16-6-8-19-15(11-16)5-10-21(24-19)26-17-7-9-20(18(22)12-17)25-13-14-3-4-14/h5-12,14,23H,2-4,13H2,1H3.
What are the key properties of 2-[3-chloro-4-(cyclopropylmethoxy)phenoxy]-N-ethylquinolin-6-amine?
2-[3-chloro-4-(cyclopropylmethoxy)phenoxy]-N-ethylquinolin-6-amine has a molecular weight of 368.86 g/mol, XLogP of 5.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-(cyclopropylmethoxy)phenoxy]-N-ethylquinolin-6-amine is sourced from PubChem (CID 68759944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).