4-chloro-7-fluoro-6-methoxyquinolin-5-amine

C10H8ClFN2O — CID 611219

IUPAC4-chloro-7-fluoro-6-methoxyquinolin-5-amine
SMILESCOc1c(F)cc2nccc(Cl)c2c1N
InChIInChI=1S/C10H8ClFN2O/c1-15-10-6(12)4-7-8(9(10)13)5(11)2-3-14-7/h2-4H,13H2,1H3
InChIKeyOLDRQMQQGVOQJD-UHFFFAOYSA-N
MW226.64 g/mol
LogP2.62
Rot. Bonds1

About 4-chloro-7-fluoro-6-methoxyquinolin-5-amine

4-chloro-7-fluoro-6-methoxyquinolin-5-amine (PubChem CID 611219) has the molecular formula C10H8ClFN2O and a molecular weight of 226.64 g/mol. Its IUPAC name is 4-chloro-7-fluoro-6-methoxyquinolin-5-amine.

Molecular Properties

Compound Name4-chloro-7-fluoro-6-methoxyquinolin-5-amine
PubChem CID611219
Molecular FormulaC10H8ClFN2O
Molecular Weight226.64 g/mol
Exact Mass226.03
IUPAC Name4-chloro-7-fluoro-6-methoxyquinolin-5-amine
SMILESCOc1c(F)cc2nccc(Cl)c2c1N
InChIInChI=1S/C10H8ClFN2O/c1-15-10-6(12)4-7-8(9(10)13)5(11)2-3-14-7/h2-4H,13H2,1H3
InChIKeyOLDRQMQQGVOQJD-UHFFFAOYSA-N
XLogP2.62
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.64
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-fluoro-6-methoxyquinolin-5-amine?
The IUPAC name of 4-chloro-7-fluoro-6-methoxyquinolin-5-amine (CID 611219) is 4-chloro-7-fluoro-6-methoxyquinolin-5-amine.
What is the SMILES notation for 4-chloro-7-fluoro-6-methoxyquinolin-5-amine?
The canonical SMILES for 4-chloro-7-fluoro-6-methoxyquinolin-5-amine is COc1c(F)cc2nccc(Cl)c2c1N.
What is the InChIKey of 4-chloro-7-fluoro-6-methoxyquinolin-5-amine?
The InChIKey is OLDRQMQQGVOQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O/c1-15-10-6(12)4-7-8(9(10)13)5(11)2-3-14-7/h2-4H,13H2,1H3.
What are the key properties of 4-chloro-7-fluoro-6-methoxyquinolin-5-amine?
4-chloro-7-fluoro-6-methoxyquinolin-5-amine has a molecular weight of 226.64 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-fluoro-6-methoxyquinolin-5-amine is sourced from PubChem (CID 611219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).