2,6-difluoro-4-[(quinolin-6-ylamino)methyl]phenol

C16H12F2N2O — CID 79883860

IUPAC2,6-difluoro-4-[(quinolin-6-ylamino)methyl]phenol
SMILESOc1c(F)cc(CNc2ccc3ncccc3c2)cc1F
InChIInChI=1S/C16H12F2N2O/c17-13-6-10(7-14(18)16(13)21)9-20-12-3-4-15-11(8-12)2-1-5-19-15/h1-8,20-21H,9H2
InChIKeyGUOPOGMTPRCSND-UHFFFAOYSA-N
MW286.28 g/mol
LogP3.83
Rot. Bonds3

About 2,6-difluoro-4-[(quinolin-6-ylamino)methyl]phenol

2,6-difluoro-4-[(quinolin-6-ylamino)methyl]phenol (PubChem CID 79883860) has the molecular formula C16H12F2N2O and a molecular weight of 286.28 g/mol. Its IUPAC name is 2,6-difluoro-4-[(quinolin-6-ylamino)methyl]phenol.

Molecular Properties

Compound Name2,6-difluoro-4-[(quinolin-6-ylamino)methyl]phenol
PubChem CID79883860
Molecular FormulaC16H12F2N2O
Molecular Weight286.28 g/mol
Exact Mass286.09
IUPAC Name2,6-difluoro-4-[(quinolin-6-ylamino)methyl]phenol
SMILESOc1c(F)cc(CNc2ccc3ncccc3c2)cc1F
InChIInChI=1S/C16H12F2N2O/c17-13-6-10(7-14(18)16(13)21)9-20-12-3-4-15-11(8-12)2-1-5-19-15/h1-8,20-21H,9H2
InChIKeyGUOPOGMTPRCSND-UHFFFAOYSA-N
XLogP3.83
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-fluoro-N-(quinolin-6-ylmethyl)aniline
CID 61470243
N-(pyridin-3-ylmethyl)quinolin-6-amine
CID 53392291
N-[(3,5-dimethoxyphenyl)methyl]quinolin-6-amine
CID 165347661
N-[(2,5-difluorophenyl)methyl]quinolin-6-amine
CID 62634585
N-(furan-3-ylmethyl)quinolin-6-amine
CID 63204697
N-[(3,4-dimethylphenyl)methyl]quinolin-6-amine
CID 62634241
N-[(2-chloro-6-fluorophenyl)methyl]quinolin-6-amine
CID 62636135
N-[(4-ethoxyphenyl)methyl]quinolin-6-amine
CID 62636132
N-[(1-ethylpyrrol-3-yl)methyl]quinolin-6-amine
CID 66415969
2,6-difluoro-4-[[(2-methyl-3-pyridinyl)amino]methyl]phenol
CID 79892131
3,5-dimethyl-N-(quinolin-6-ylmethyl)aniline
CID 28776356
N-(3,3-dimethylbutyl)quinolin-6-amine
CID 62950963

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[(quinolin-6-ylamino)methyl]phenol?
The IUPAC name of 2,6-difluoro-4-[(quinolin-6-ylamino)methyl]phenol (CID 79883860) is 2,6-difluoro-4-[(quinolin-6-ylamino)methyl]phenol.
What is the SMILES notation for 2,6-difluoro-4-[(quinolin-6-ylamino)methyl]phenol?
The canonical SMILES for 2,6-difluoro-4-[(quinolin-6-ylamino)methyl]phenol is Oc1c(F)cc(CNc2ccc3ncccc3c2)cc1F.
What is the InChIKey of 2,6-difluoro-4-[(quinolin-6-ylamino)methyl]phenol?
The InChIKey is GUOPOGMTPRCSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O/c17-13-6-10(7-14(18)16(13)21)9-20-12-3-4-15-11(8-12)2-1-5-19-15/h1-8,20-21H,9H2.
What are the key properties of 2,6-difluoro-4-[(quinolin-6-ylamino)methyl]phenol?
2,6-difluoro-4-[(quinolin-6-ylamino)methyl]phenol has a molecular weight of 286.28 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[(quinolin-6-ylamino)methyl]phenol is sourced from PubChem (CID 79883860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).