2-chloro-6-[(quinolin-8-ylamino)methyl]phenol

C16H13ClN2O — CID 115904886

IUPAC2-chloro-6-[(quinolin-8-ylamino)methyl]phenol
SMILESOc1c(Cl)cccc1CNc1cccc2cccnc12
InChIInChI=1S/C16H13ClN2O/c17-13-7-1-5-12(16(13)20)10-19-14-8-2-4-11-6-3-9-18-15(11)14/h1-9,19-20H,10H2
InChIKeyYIFPAFPXARVUFU-UHFFFAOYSA-N
MW284.75 g/mol
LogP4.21
Rot. Bonds3

About 2-chloro-6-[(quinolin-8-ylamino)methyl]phenol

2-chloro-6-[(quinolin-8-ylamino)methyl]phenol (PubChem CID 115904886) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 2-chloro-6-[(quinolin-8-ylamino)methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[(quinolin-8-ylamino)methyl]phenol
PubChem CID115904886
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name2-chloro-6-[(quinolin-8-ylamino)methyl]phenol
SMILESOc1c(Cl)cccc1CNc1cccc2cccnc12
InChIInChI=1S/C16H13ClN2O/c17-13-7-1-5-12(16(13)20)10-19-14-8-2-4-11-6-3-9-18-15(11)14/h1-9,19-20H,10H2
InChIKeyYIFPAFPXARVUFU-UHFFFAOYSA-N
XLogP4.21
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 54.21
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

2-chloro-6-[[(2-methyl-3-pyridinyl)amino]methyl]phenol
CID 112554995
3-chloro-1-N-(quinolin-8-ylmethyl)benzene-1,2-diamine
CID 104834766
3-[[(2-chloro-3-pyridinyl)amino]methyl]benzene-1,2-diol
CID 61319295
2-chloro-6-(quinolin-8-ylmethylamino)benzonitrile
CID 81426754
2-bromo-6-[[(2-chloro-3-pyridinyl)amino]methyl]phenol
CID 61390833
N-[(5-chloro-1,3-thiazol-2-yl)methyl]quinolin-8-amine
CID 104878700
2-chloro-6-[[(2,6-dimethyl-3-pyridinyl)amino]methyl]phenol
CID 112555002
5-[(2-chlorophenyl)methylamino]-N-quinolin-8-ylpyridine-2-carboxamide
CID 109189981
5-methoxy-2-[(quinolin-8-ylamino)methyl]phenol
CID 61268574
N-(pyridin-2-ylmethyl)quinolin-8-amine
CID 20827882
2-bromo-N-(quinolin-8-ylmethyl)aniline
CID 28616025
N-[2-[(3-chloro-2-pyridinyl)amino]ethyl]-N'-quinolin-8-ylethane-1,2-diamine
CID 67942644

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(quinolin-8-ylamino)methyl]phenol?
The IUPAC name of 2-chloro-6-[(quinolin-8-ylamino)methyl]phenol (CID 115904886) is 2-chloro-6-[(quinolin-8-ylamino)methyl]phenol.
What is the SMILES notation for 2-chloro-6-[(quinolin-8-ylamino)methyl]phenol?
The canonical SMILES for 2-chloro-6-[(quinolin-8-ylamino)methyl]phenol is Oc1c(Cl)cccc1CNc1cccc2cccnc12.
What is the InChIKey of 2-chloro-6-[(quinolin-8-ylamino)methyl]phenol?
The InChIKey is YIFPAFPXARVUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c17-13-7-1-5-12(16(13)20)10-19-14-8-2-4-11-6-3-9-18-15(11)14/h1-9,19-20H,10H2.
What are the key properties of 2-chloro-6-[(quinolin-8-ylamino)methyl]phenol?
2-chloro-6-[(quinolin-8-ylamino)methyl]phenol has a molecular weight of 284.75 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(quinolin-8-ylamino)methyl]phenol is sourced from PubChem (CID 115904886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).