N-(4-chloro-2-fluorophenyl)-8-methoxyquinolin-4-amine

C16H12ClFN2O — CID 139967891

IUPACN-(4-chloro-2-fluorophenyl)-8-methoxyquinolin-4-amine
SMILESCOc1cccc2c(Nc3ccc(Cl)cc3F)ccnc12
InChIInChI=1S/C16H12ClFN2O/c1-21-15-4-2-3-11-13(7-8-19-16(11)15)20-14-6-5-10(17)9-12(14)18/h2-9H,1H3,(H,19,20)
InChIKeyDMINNBAVASBDLC-UHFFFAOYSA-N
MW302.74 g/mol
LogP4.78
Rot. Bonds3

About N-(4-chloro-2-fluorophenyl)-8-methoxyquinolin-4-amine

N-(4-chloro-2-fluorophenyl)-8-methoxyquinolin-4-amine (PubChem CID 139967891) has the molecular formula C16H12ClFN2O and a molecular weight of 302.74 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-8-methoxyquinolin-4-amine.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-8-methoxyquinolin-4-amine
PubChem CID139967891
Molecular FormulaC16H12ClFN2O
Molecular Weight302.74 g/mol
Exact Mass302.06
IUPAC NameN-(4-chloro-2-fluorophenyl)-8-methoxyquinolin-4-amine
SMILESCOc1cccc2c(Nc3ccc(Cl)cc3F)ccnc12
InChIInChI=1S/C16H12ClFN2O/c1-21-15-4-2-3-11-13(7-8-19-16(11)15)20-14-6-5-10(17)9-12(14)18/h2-9H,1H3,(H,19,20)
InChIKeyDMINNBAVASBDLC-UHFFFAOYSA-N
XLogP4.78
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-8-methoxyquinolin-4-amine?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-8-methoxyquinolin-4-amine (CID 139967891) is N-(4-chloro-2-fluorophenyl)-8-methoxyquinolin-4-amine.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-8-methoxyquinolin-4-amine?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-8-methoxyquinolin-4-amine is COc1cccc2c(Nc3ccc(Cl)cc3F)ccnc12.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-8-methoxyquinolin-4-amine?
The InChIKey is DMINNBAVASBDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O/c1-21-15-4-2-3-11-13(7-8-19-16(11)15)20-14-6-5-10(17)9-12(14)18/h2-9H,1H3,(H,19,20).
What are the key properties of N-(4-chloro-2-fluorophenyl)-8-methoxyquinolin-4-amine?
N-(4-chloro-2-fluorophenyl)-8-methoxyquinolin-4-amine has a molecular weight of 302.74 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-8-methoxyquinolin-4-amine is sourced from PubChem (CID 139967891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).