4-(4-amino-2-fluorophenoxy)-7-methoxy-N-(2-morpholin-4-ylethyl)quinolin-6-amine

C22H25FN4O3 — CID 155779576

IUPAC4-(4-amino-2-fluorophenoxy)-7-methoxy-N-(2-morpholin-4-ylethyl)quinolin-6-amine
SMILESCOc1cc2nccc(Oc3ccc(N)cc3F)c2cc1NCCN1CCOCC1
InChIInChI=1S/C22H25FN4O3/c1-28-22-14-18-16(13-19(22)26-6-7-27-8-10-29-11-9-27)20(4-5-25-18)30-21-3-2-15(24)12-17(21)23/h2-5,12-14,26H,6-11,24H2,1H3
InChIKeyJFJOAKPYMVUMDF-UHFFFAOYSA-N
MW412.47 g/mol
LogP3.50
Rot. Bonds7

About 4-(4-amino-2-fluorophenoxy)-7-methoxy-N-(2-morpholin-4-ylethyl)quinolin-6-amine

4-(4-amino-2-fluorophenoxy)-7-methoxy-N-(2-morpholin-4-ylethyl)quinolin-6-amine (PubChem CID 155779576) has the molecular formula C22H25FN4O3 and a molecular weight of 412.47 g/mol. Its IUPAC name is 4-(4-amino-2-fluorophenoxy)-7-methoxy-N-(2-morpholin-4-ylethyl)quinolin-6-amine.

Molecular Properties

Compound Name4-(4-amino-2-fluorophenoxy)-7-methoxy-N-(2-morpholin-4-ylethyl)quinolin-6-amine
PubChem CID155779576
Molecular FormulaC22H25FN4O3
Molecular Weight412.47 g/mol
Exact Mass412.19
IUPAC Name4-(4-amino-2-fluorophenoxy)-7-methoxy-N-(2-morpholin-4-ylethyl)quinolin-6-amine
SMILESCOc1cc2nccc(Oc3ccc(N)cc3F)c2cc1NCCN1CCOCC1
InChIInChI=1S/C22H25FN4O3/c1-28-22-14-18-16(13-19(22)26-6-7-27-8-10-29-11-9-27)20(4-5-25-18)30-21-3-2-15(24)12-17(21)23/h2-5,12-14,26H,6-11,24H2,1H3
InChIKeyJFJOAKPYMVUMDF-UHFFFAOYSA-N
XLogP3.50
TPSA81.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(4-amino-2-fluorophenoxy)-7-methoxyquinolin-6-ol
CID 67522286
2-fluoro-3-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-6-methylphenol
CID 54167934
1-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-(4-methylphenyl)urea
CID 141472646
3-fluoro-4-[6-methoxy-7-(1-morpholin-3-ylpropoxy)quinolin-4-yl]oxyaniline
CID 90283838
1-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-(4-propan-2-ylphenyl)urea
CID 141472643
N-[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-1-methylpyrazole-3-sulfonamide
CID 67074506
3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyaniline
CID 67519530
4-bromo-N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-methylpyrazole-3-carboxamide
CID 56846738
4-(4-amino-2-fluorophenoxy)-7-methoxy-N,N-dimethylquinoline-6-carboxamide
CID 155779628
N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-methylpyrazole-3-carboxamide
CID 56846737
2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide
CID 90646162
1-N'-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;hydrate
CID 53385812

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-fluorophenoxy)-7-methoxy-N-(2-morpholin-4-ylethyl)quinolin-6-amine?
The IUPAC name of 4-(4-amino-2-fluorophenoxy)-7-methoxy-N-(2-morpholin-4-ylethyl)quinolin-6-amine (CID 155779576) is 4-(4-amino-2-fluorophenoxy)-7-methoxy-N-(2-morpholin-4-ylethyl)quinolin-6-amine.
What is the SMILES notation for 4-(4-amino-2-fluorophenoxy)-7-methoxy-N-(2-morpholin-4-ylethyl)quinolin-6-amine?
The canonical SMILES for 4-(4-amino-2-fluorophenoxy)-7-methoxy-N-(2-morpholin-4-ylethyl)quinolin-6-amine is COc1cc2nccc(Oc3ccc(N)cc3F)c2cc1NCCN1CCOCC1.
What is the InChIKey of 4-(4-amino-2-fluorophenoxy)-7-methoxy-N-(2-morpholin-4-ylethyl)quinolin-6-amine?
The InChIKey is JFJOAKPYMVUMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O3/c1-28-22-14-18-16(13-19(22)26-6-7-27-8-10-29-11-9-27)20(4-5-25-18)30-21-3-2-15(24)12-17(21)23/h2-5,12-14,26H,6-11,24H2,1H3.
What are the key properties of 4-(4-amino-2-fluorophenoxy)-7-methoxy-N-(2-morpholin-4-ylethyl)quinolin-6-amine?
4-(4-amino-2-fluorophenoxy)-7-methoxy-N-(2-morpholin-4-ylethyl)quinolin-6-amine has a molecular weight of 412.47 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-fluorophenoxy)-7-methoxy-N-(2-morpholin-4-ylethyl)quinolin-6-amine is sourced from PubChem (CID 155779576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).