2-fluoro-6-[(quinolin-3-ylamino)methyl]phenol

C16H13FN2O — CID 115951211

IUPAC2-fluoro-6-[(quinolin-3-ylamino)methyl]phenol
SMILESOc1c(F)cccc1CNc1cnc2ccccc2c1
InChIInChI=1S/C16H13FN2O/c17-14-6-3-5-12(16(14)20)9-18-13-8-11-4-1-2-7-15(11)19-10-13/h1-8,10,18,20H,9H2
InChIKeyCCCLAMNMPOYYMD-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.69
Rot. Bonds3

About 2-fluoro-6-[(quinolin-3-ylamino)methyl]phenol

2-fluoro-6-[(quinolin-3-ylamino)methyl]phenol (PubChem CID 115951211) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-fluoro-6-[(quinolin-3-ylamino)methyl]phenol.

Molecular Properties

Compound Name2-fluoro-6-[(quinolin-3-ylamino)methyl]phenol
PubChem CID115951211
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name2-fluoro-6-[(quinolin-3-ylamino)methyl]phenol
SMILESOc1c(F)cccc1CNc1cnc2ccccc2c1
InChIInChI=1S/C16H13FN2O/c17-14-6-3-5-12(16(14)20)9-18-13-8-11-4-1-2-7-15(11)19-10-13/h1-8,10,18,20H,9H2
InChIKeyCCCLAMNMPOYYMD-UHFFFAOYSA-N
XLogP3.69
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chloro-2-fluorophenyl)methyl]quinolin-3-amine
CID 114841721
N-(1H-indol-7-ylmethyl)quinolin-3-amine
CID 104624378
2-[(quinolin-3-ylamino)methyl]benzonitrile
CID 104694112
N-[(2-ethoxyphenyl)methyl]quinolin-3-amine
CID 43691162
N-[(3-fluoro-4-methylphenyl)methyl]quinolin-3-amine
CID 63644523
N-[(2-nitrophenyl)methyl]quinolin-3-amine
CID 43691125
N-[(4-bromo-3-fluorophenyl)methyl]quinolin-3-amine
CID 81436143
N-[(4-bromothiophen-3-yl)methyl]quinolin-3-amine
CID 112739629
2-fluoro-6-[(3-iodoanilino)methyl]phenol
CID 112606354
N-(3-methylbutyl)quinolin-3-amine
CID 43691203
2-fluoro-3-[(1H-pyrazolo[3,4-b]pyridin-5-ylamino)methyl]phenol
CID 167775407
N-(1-benzothiophen-3-ylmethyl)quinolin-3-amine
CID 62699615

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(quinolin-3-ylamino)methyl]phenol?
The IUPAC name of 2-fluoro-6-[(quinolin-3-ylamino)methyl]phenol (CID 115951211) is 2-fluoro-6-[(quinolin-3-ylamino)methyl]phenol.
What is the SMILES notation for 2-fluoro-6-[(quinolin-3-ylamino)methyl]phenol?
The canonical SMILES for 2-fluoro-6-[(quinolin-3-ylamino)methyl]phenol is Oc1c(F)cccc1CNc1cnc2ccccc2c1.
What is the InChIKey of 2-fluoro-6-[(quinolin-3-ylamino)methyl]phenol?
The InChIKey is CCCLAMNMPOYYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c17-14-6-3-5-12(16(14)20)9-18-13-8-11-4-1-2-7-15(11)19-10-13/h1-8,10,18,20H,9H2.
What are the key properties of 2-fluoro-6-[(quinolin-3-ylamino)methyl]phenol?
2-fluoro-6-[(quinolin-3-ylamino)methyl]phenol has a molecular weight of 268.29 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(quinolin-3-ylamino)methyl]phenol is sourced from PubChem (CID 115951211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).