N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]quinolin-2-amine

C21H16FN3O — CID 133274441

IUPACN-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]quinolin-2-amine
SMILESFc1cc(CNc2ccc3ccccc3n2)ccc1Oc1cccnc1
InChIInChI=1S/C21H16FN3O/c22-18-12-15(7-9-20(18)26-17-5-3-11-23-14-17)13-24-21-10-8-16-4-1-2-6-19(16)25-21/h1-12,14H,13H2,(H,24,25)
InChIKeyZMUDBRCOOYDSCV-UHFFFAOYSA-N
MW345.38 g/mol
LogP5.17
Rot. Bonds5

About N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]quinolin-2-amine

N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]quinolin-2-amine (PubChem CID 133274441) has the molecular formula C21H16FN3O and a molecular weight of 345.38 g/mol. Its IUPAC name is N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]quinolin-2-amine.

Molecular Properties

Compound NameN-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]quinolin-2-amine
PubChem CID133274441
Molecular FormulaC21H16FN3O
Molecular Weight345.38 g/mol
Exact Mass345.13
IUPAC NameN-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]quinolin-2-amine
SMILESFc1cc(CNc2ccc3ccccc3n2)ccc1Oc1cccnc1
InChIInChI=1S/C21H16FN3O/c22-18-12-15(7-9-20(18)26-17-5-3-11-23-14-17)13-24-21-10-8-16-4-1-2-6-19(16)25-21/h1-12,14H,13H2,(H,24,25)
InChIKeyZMUDBRCOOYDSCV-UHFFFAOYSA-N
XLogP5.17
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.38
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-[(3-fluoro-4-pyridin-3-yloxyphenyl)methylamino]pyridazine-3-carboxylate
CID 133274466
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133274479
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]cyclopropanamine
CID 43283717
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-2-pyridin-3-yloxyacetamide
CID 166189097
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110918435
1-benzyl-3-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-2-methylguanidine
CID 110952626
2-N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-5-nitropyrimidine-2,4-diamine
CID 133274461
1-tert-butyl-3-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 110964790
4-chloro-5-[(3-fluoro-4-pyridin-3-yloxyphenyl)methylamino]-2-phenylpyridazin-3-one
CID 133274440
4-bromo-5-[(3-fluoro-4-pyridin-3-yloxyphenyl)methylamino]-2-methylpyridazin-3-one
CID 133303824
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1-(4-methylphenyl)tetrazol-5-amine
CID 133274465
1-[(3-fluoro-4-methylphenyl)methyl]-3-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-2-methylguanidine
CID 111846945

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]quinolin-2-amine?
The IUPAC name of N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]quinolin-2-amine (CID 133274441) is N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]quinolin-2-amine.
What is the SMILES notation for N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]quinolin-2-amine?
The canonical SMILES for N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]quinolin-2-amine is Fc1cc(CNc2ccc3ccccc3n2)ccc1Oc1cccnc1.
What is the InChIKey of N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]quinolin-2-amine?
The InChIKey is ZMUDBRCOOYDSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O/c22-18-12-15(7-9-20(18)26-17-5-3-11-23-14-17)13-24-21-10-8-16-4-1-2-6-19(16)25-21/h1-12,14H,13H2,(H,24,25).
What are the key properties of N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]quinolin-2-amine?
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]quinolin-2-amine has a molecular weight of 345.38 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]quinolin-2-amine is sourced from PubChem (CID 133274441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).