N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-methoxyethoxy)quinolin-4-amine

C19H18ClFN2O3 — CID 5329017

IUPACN-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-methoxyethoxy)quinolin-4-amine
SMILESCOCCOc1cc2nccc(Nc3ccc(Cl)cc3F)c2cc1OC
InChIInChI=1S/C19H18ClFN2O3/c1-24-7-8-26-19-11-17-13(10-18(19)25-2)15(5-6-22-17)23-16-4-3-12(20)9-14(16)21/h3-6,9-11H,7-8H2,1-2H3,(H,22,23)
InChIKeyRJJKXXSFIZEAMB-UHFFFAOYSA-N
MW376.82 g/mol
LogP4.80
Rot. Bonds7

About N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-methoxyethoxy)quinolin-4-amine

N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-methoxyethoxy)quinolin-4-amine (PubChem CID 5329017) has the molecular formula C19H18ClFN2O3 and a molecular weight of 376.82 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-methoxyethoxy)quinolin-4-amine.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-methoxyethoxy)quinolin-4-amine
PubChem CID5329017
Molecular FormulaC19H18ClFN2O3
Molecular Weight376.82 g/mol
Exact Mass376.10
IUPAC NameN-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-methoxyethoxy)quinolin-4-amine
SMILESCOCCOc1cc2nccc(Nc3ccc(Cl)cc3F)c2cc1OC
InChIInChI=1S/C19H18ClFN2O3/c1-24-7-8-26-19-11-17-13(10-18(19)25-2)15(5-6-22-17)23-16-4-3-12(20)9-14(16)21/h3-6,9-11H,7-8H2,1-2H3,(H,22,23)
InChIKeyRJJKXXSFIZEAMB-UHFFFAOYSA-N
XLogP4.80
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.82
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-methoxyethoxy)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 N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-methoxyethoxy)quinolin-4-amine?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-methoxyethoxy)quinolin-4-amine (CID 5329017) is N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-methoxyethoxy)quinolin-4-amine.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-methoxyethoxy)quinolin-4-amine?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-methoxyethoxy)quinolin-4-amine is COCCOc1cc2nccc(Nc3ccc(Cl)cc3F)c2cc1OC.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-methoxyethoxy)quinolin-4-amine?
The InChIKey is RJJKXXSFIZEAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O3/c1-24-7-8-26-19-11-17-13(10-18(19)25-2)15(5-6-22-17)23-16-4-3-12(20)9-14(16)21/h3-6,9-11H,7-8H2,1-2H3,(H,22,23).
What are the key properties of N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-methoxyethoxy)quinolin-4-amine?
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-methoxyethoxy)quinolin-4-amine has a molecular weight of 376.82 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-methoxyethoxy)quinolin-4-amine is sourced from PubChem (CID 5329017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).