N-[(4-fluorophenyl)methyl]-6-methoxyquinolin-4-amine

C17H15FN2O — CID 166633819

IUPACN-[(4-fluorophenyl)methyl]-6-methoxyquinolin-4-amine
SMILESCOc1ccc2nccc(NCc3ccc(F)cc3)c2c1
InChIInChI=1S/C17H15FN2O/c1-21-14-6-7-16-15(10-14)17(8-9-19-16)20-11-12-2-4-13(18)5-3-12/h2-10H,11H2,1H3,(H,19,20)
InChIKeyJITFDFJRZWBMKX-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.99
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-6-methoxyquinolin-4-amine

N-[(4-fluorophenyl)methyl]-6-methoxyquinolin-4-amine (PubChem CID 166633819) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-6-methoxyquinolin-4-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-6-methoxyquinolin-4-amine
PubChem CID166633819
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC NameN-[(4-fluorophenyl)methyl]-6-methoxyquinolin-4-amine
SMILESCOc1ccc2nccc(NCc3ccc(F)cc3)c2c1
InChIInChI=1S/C17H15FN2O/c1-21-14-6-7-16-15(10-14)17(8-9-19-16)20-11-12-2-4-13(18)5-3-12/h2-10H,11H2,1H3,(H,19,20)
InChIKeyJITFDFJRZWBMKX-UHFFFAOYSA-N
XLogP3.99
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]-6-methylquinolin-4-amine
CID 133466915
N-[2-(4-chlorophenyl)ethyl]-6-methoxyquinolin-4-amine
CID 70112929
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxyaniline
CID 82539246
4-[[(7-methoxyquinolin-4-yl)amino]methyl]-N-methylbenzenesulfinamide
CID 166845406
N-[(4-fluorophenyl)methyl]-2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-amine
CID 146503197
N,N'-bis(7-methoxyquinolin-4-yl)ethane-1,2-diamine
CID 118717457
2-[(4-fluorophenyl)methylamino]-4-methoxybenzoic acid
CID 81304297
2-N-(2,5-dimethoxyphenyl)-4-N-[(4-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891459
2-hydroxy-3-[(6-methoxyquinolin-4-yl)amino]-N-methylpropanamide
CID 154782094
N'-(3,5-dimethoxyphenyl)-N-(7-fluoroquinolin-4-yl)ethane-1,2-diamine
CID 154864206
N-[(4-ethylphenyl)methyl]-6-methoxyquinazolin-4-amine
CID 167659658
2-(aminomethyl)-6-fluoro-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 68516812

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-6-methoxyquinolin-4-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-6-methoxyquinolin-4-amine (CID 166633819) is N-[(4-fluorophenyl)methyl]-6-methoxyquinolin-4-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-6-methoxyquinolin-4-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-6-methoxyquinolin-4-amine is COc1ccc2nccc(NCc3ccc(F)cc3)c2c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-6-methoxyquinolin-4-amine?
The InChIKey is JITFDFJRZWBMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-21-14-6-7-16-15(10-14)17(8-9-19-16)20-11-12-2-4-13(18)5-3-12/h2-10H,11H2,1H3,(H,19,20).
What are the key properties of N-[(4-fluorophenyl)methyl]-6-methoxyquinolin-4-amine?
N-[(4-fluorophenyl)methyl]-6-methoxyquinolin-4-amine has a molecular weight of 282.32 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-6-methoxyquinolin-4-amine is sourced from PubChem (CID 166633819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).