4-chloro-5-fluoro-8-methoxyquinolin-3-amine

C10H8ClFN2O — CID 157041127

IUPAC4-chloro-5-fluoro-8-methoxyquinolin-3-amine
SMILESCOc1ccc(F)c2c(Cl)c(N)cnc12
InChIInChI=1S/C10H8ClFN2O/c1-15-7-3-2-5(12)8-9(11)6(13)4-14-10(7)8/h2-4H,13H2,1H3
InChIKeyNYGKZAWMYCNAHL-UHFFFAOYSA-N
MW226.64 g/mol
LogP2.62
Rot. Bonds1

About 4-chloro-5-fluoro-8-methoxyquinolin-3-amine

4-chloro-5-fluoro-8-methoxyquinolin-3-amine (PubChem CID 157041127) has the molecular formula C10H8ClFN2O and a molecular weight of 226.64 g/mol. Its IUPAC name is 4-chloro-5-fluoro-8-methoxyquinolin-3-amine.

Molecular Properties

Compound Name4-chloro-5-fluoro-8-methoxyquinolin-3-amine
PubChem CID157041127
Molecular FormulaC10H8ClFN2O
Molecular Weight226.64 g/mol
Exact Mass226.03
IUPAC Name4-chloro-5-fluoro-8-methoxyquinolin-3-amine
SMILESCOc1ccc(F)c2c(Cl)c(N)cnc12
InChIInChI=1S/C10H8ClFN2O/c1-15-7-3-2-5(12)8-9(11)6(13)4-14-10(7)8/h2-4H,13H2,1H3
InChIKeyNYGKZAWMYCNAHL-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

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Related Compounds

4-tert-butyl-5-fluoro-8-methoxyquinoline
CID 163452003
3,5-dibromo-4-chloro-8-methoxyquinoline
CID 114759895
4-chloro-3-iodo-8-methoxy-5-methylquinoline
CID 102614076
4-chloro-5-fluoro-3,8-dimethylquinoline
CID 171373227
2-chloro-1,3-difluoro-4-methoxybenzene
CID 121229982
4-(2-fluorophenyl)-8-methoxyquinolin-5-amine
CID 10754354
4-bromo-3-chloro-8-methoxy-5-methylquinoline
CID 114763949
4,5-dichloro-8-methoxyquinoline
CID 43531957
4-fluoro-7-methoxy-1-benzothiophen-3-amine
CID 130866136
5-[(2-chloro-3-fluoro-6-methoxyphenyl)methoxy]-2-fluoroaniline
CID 58022245
2-(4-chlorophenyl)-3-fluoro-5-methoxypyridin-4-amine
CID 174787583
5-chloro-2-methoxyaniline;hydron;chloride
CID 164511506

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-8-methoxyquinolin-3-amine?
The IUPAC name of 4-chloro-5-fluoro-8-methoxyquinolin-3-amine (CID 157041127) is 4-chloro-5-fluoro-8-methoxyquinolin-3-amine.
What is the SMILES notation for 4-chloro-5-fluoro-8-methoxyquinolin-3-amine?
The canonical SMILES for 4-chloro-5-fluoro-8-methoxyquinolin-3-amine is COc1ccc(F)c2c(Cl)c(N)cnc12.
What is the InChIKey of 4-chloro-5-fluoro-8-methoxyquinolin-3-amine?
The InChIKey is NYGKZAWMYCNAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O/c1-15-7-3-2-5(12)8-9(11)6(13)4-14-10(7)8/h2-4H,13H2,1H3.
What are the key properties of 4-chloro-5-fluoro-8-methoxyquinolin-3-amine?
4-chloro-5-fluoro-8-methoxyquinolin-3-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-5-fluoro-8-methoxyquinolin-3-amine is sourced from PubChem (CID 157041127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).