[4-(2,3-difluorophenoxy)quinolin-3-yl]methanamine

C16H12F2N2O — CID 63037258

IUPAC[4-(2,3-difluorophenoxy)quinolin-3-yl]methanamine
SMILESNCc1cnc2ccccc2c1Oc1cccc(F)c1F
InChIInChI=1S/C16H12F2N2O/c17-12-5-3-7-14(15(12)18)21-16-10(8-19)9-20-13-6-2-1-4-11(13)16/h1-7,9H,8,19H2
InChIKeyMNDWMQFOCSUOQT-UHFFFAOYSA-N
MW286.28 g/mol
LogP3.76
Rot. Bonds3

About [4-(2,3-difluorophenoxy)quinolin-3-yl]methanamine

[4-(2,3-difluorophenoxy)quinolin-3-yl]methanamine (PubChem CID 63037258) has the molecular formula C16H12F2N2O and a molecular weight of 286.28 g/mol. Its IUPAC name is [4-(2,3-difluorophenoxy)quinolin-3-yl]methanamine.

Molecular Properties

Compound Name[4-(2,3-difluorophenoxy)quinolin-3-yl]methanamine
PubChem CID63037258
Molecular FormulaC16H12F2N2O
Molecular Weight286.28 g/mol
Exact Mass286.09
IUPAC Name[4-(2,3-difluorophenoxy)quinolin-3-yl]methanamine
SMILESNCc1cnc2ccccc2c1Oc1cccc(F)c1F
InChIInChI=1S/C16H12F2N2O/c17-12-5-3-7-14(15(12)18)21-16-10(8-19)9-20-13-6-2-1-4-11(13)16/h1-7,9H,8,19H2
InChIKeyMNDWMQFOCSUOQT-UHFFFAOYSA-N
XLogP3.76
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-methoxyphenoxy)quinolin-3-yl]methanamine
CID 43669445
[2-(2,3-difluorophenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83189525
[6-(2,3-difluorophenoxy)-4-methyl-3-pyridinyl]methanamine
CID 157390984
[1-(2-fluoro-3-methylphenoxy)isoquinolin-4-yl]methanamine
CID 107660852
(4-propan-2-yloxyquinolin-3-yl)methanamine
CID 43669459
[4-(2,3-difluorophenoxy)quinolin-2-yl]methanol
CID 63375849
[6-(2,3-difluorophenoxy)-2-pyridinyl]methanamine
CID 63035930
[4-chloro-2-(2,3-difluorophenoxy)phenyl]methanamine
CID 63082321
[4-(2-methoxyphenyl)sulfanylquinolin-3-yl]methanamine
CID 61290357
[4-[(4-bromophenyl)methoxy]quinolin-3-yl]methanamine
CID 82804822
2-[4-(2,3-difluorophenoxy)-3,5-difluorophenyl]ethanamine
CID 63802666
(2,3-difluorophenyl)methanamine
CID 2736941

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-difluorophenoxy)quinolin-3-yl]methanamine?
The IUPAC name of [4-(2,3-difluorophenoxy)quinolin-3-yl]methanamine (CID 63037258) is [4-(2,3-difluorophenoxy)quinolin-3-yl]methanamine.
What is the SMILES notation for [4-(2,3-difluorophenoxy)quinolin-3-yl]methanamine?
The canonical SMILES for [4-(2,3-difluorophenoxy)quinolin-3-yl]methanamine is NCc1cnc2ccccc2c1Oc1cccc(F)c1F.
What is the InChIKey of [4-(2,3-difluorophenoxy)quinolin-3-yl]methanamine?
The InChIKey is MNDWMQFOCSUOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O/c17-12-5-3-7-14(15(12)18)21-16-10(8-19)9-20-13-6-2-1-4-11(13)16/h1-7,9H,8,19H2.
What are the key properties of [4-(2,3-difluorophenoxy)quinolin-3-yl]methanamine?
[4-(2,3-difluorophenoxy)quinolin-3-yl]methanamine has a molecular weight of 286.28 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-difluorophenoxy)quinolin-3-yl]methanamine is sourced from PubChem (CID 63037258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).