2-chloro-5-(4-fluorophenoxy)-6-methoxy-3-methylquinolin-8-amine

C17H14ClFN2O2 — CID 617100

IUPAC2-chloro-5-(4-fluorophenoxy)-6-methoxy-3-methylquinolin-8-amine
SMILESCOc1cc(N)c2nc(Cl)c(C)cc2c1Oc1ccc(F)cc1
InChIInChI=1S/C17H14ClFN2O2/c1-9-7-12-15(21-17(9)18)13(20)8-14(22-2)16(12)23-11-5-3-10(19)4-6-11/h3-8H,20H2,1-2H3
InChIKeyLAPDIDPTBRAYDB-UHFFFAOYSA-N
MW332.76 g/mol
LogP4.72
Rot. Bonds3

About 2-chloro-5-(4-fluorophenoxy)-6-methoxy-3-methylquinolin-8-amine

2-chloro-5-(4-fluorophenoxy)-6-methoxy-3-methylquinolin-8-amine (PubChem CID 617100) has the molecular formula C17H14ClFN2O2 and a molecular weight of 332.76 g/mol. Its IUPAC name is 2-chloro-5-(4-fluorophenoxy)-6-methoxy-3-methylquinolin-8-amine.

Molecular Properties

Compound Name2-chloro-5-(4-fluorophenoxy)-6-methoxy-3-methylquinolin-8-amine
PubChem CID617100
Molecular FormulaC17H14ClFN2O2
Molecular Weight332.76 g/mol
Exact Mass332.07
IUPAC Name2-chloro-5-(4-fluorophenoxy)-6-methoxy-3-methylquinolin-8-amine
SMILESCOc1cc(N)c2nc(Cl)c(C)cc2c1Oc1ccc(F)cc1
InChIInChI=1S/C17H14ClFN2O2/c1-9-7-12-15(21-17(9)18)13(20)8-14(22-2)16(12)23-11-5-3-10(19)4-6-11/h3-8H,20H2,1-2H3
InChIKeyLAPDIDPTBRAYDB-UHFFFAOYSA-N
XLogP4.72
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.76
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-(4-fluorophenoxy)-5-methylaniline
CID 115555224
2,8-dichloro-5-methoxy-3-methylquinoline
CID 63232144
4-(4-fluorophenoxy)-3,5-dimethylaniline
CID 91671802
5-(4-fluorophenoxy)-6-methoxy-2-methyl-8-nitroquinoline
CID 630083
2-(4-fluoro-2-methylphenoxy)-4,5-dimethoxyaniline
CID 83008312
2-(5-fluoro-2-methylphenoxy)-5-methoxyaniline
CID 102980202
4-(4-fluorophenoxy)-3,5-dimethoxybenzoic acid
CID 170440928
3-(4-fluorophenoxy)-4-methylaniline
CID 102167590
2-tert-butyl-5,6-dimethoxyquinolin-8-amine
CID 22262997
2-(4-fluorophenoxy)-4-methylaniline
CID 26189590
5-fluoro-4-methoxy-2-(4-methylphenoxy)aniline
CID 55215693
2-chloro-5-(4-chlorophenoxy)-4-methylaniline;molecular nitrogen
CID 70504097

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-fluorophenoxy)-6-methoxy-3-methylquinolin-8-amine?
The IUPAC name of 2-chloro-5-(4-fluorophenoxy)-6-methoxy-3-methylquinolin-8-amine (CID 617100) is 2-chloro-5-(4-fluorophenoxy)-6-methoxy-3-methylquinolin-8-amine.
What is the SMILES notation for 2-chloro-5-(4-fluorophenoxy)-6-methoxy-3-methylquinolin-8-amine?
The canonical SMILES for 2-chloro-5-(4-fluorophenoxy)-6-methoxy-3-methylquinolin-8-amine is COc1cc(N)c2nc(Cl)c(C)cc2c1Oc1ccc(F)cc1.
What is the InChIKey of 2-chloro-5-(4-fluorophenoxy)-6-methoxy-3-methylquinolin-8-amine?
The InChIKey is LAPDIDPTBRAYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O2/c1-9-7-12-15(21-17(9)18)13(20)8-14(22-2)16(12)23-11-5-3-10(19)4-6-11/h3-8H,20H2,1-2H3.
What are the key properties of 2-chloro-5-(4-fluorophenoxy)-6-methoxy-3-methylquinolin-8-amine?
2-chloro-5-(4-fluorophenoxy)-6-methoxy-3-methylquinolin-8-amine has a molecular weight of 332.76 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-fluorophenoxy)-6-methoxy-3-methylquinolin-8-amine is sourced from PubChem (CID 617100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).