5-methoxy-2-[(quinolin-8-ylamino)methyl]phenol

C17H16N2O2 — CID 61268574

IUPAC5-methoxy-2-[(quinolin-8-ylamino)methyl]phenol
SMILESCOc1ccc(CNc2cccc3cccnc23)c(O)c1
InChIInChI=1S/C17H16N2O2/c1-21-14-8-7-13(16(20)10-14)11-19-15-6-2-4-12-5-3-9-18-17(12)15/h2-10,19-20H,11H2,1H3
InChIKeyHOGMQPAOERVHLF-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.56
Rot. Bonds4

About 5-methoxy-2-[(quinolin-8-ylamino)methyl]phenol

5-methoxy-2-[(quinolin-8-ylamino)methyl]phenol (PubChem CID 61268574) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-methoxy-2-[(quinolin-8-ylamino)methyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[(quinolin-8-ylamino)methyl]phenol
PubChem CID61268574
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name5-methoxy-2-[(quinolin-8-ylamino)methyl]phenol
SMILESCOc1ccc(CNc2cccc3cccnc23)c(O)c1
InChIInChI=1S/C17H16N2O2/c1-21-14-8-7-13(16(20)10-14)11-19-15-6-2-4-12-5-3-9-18-17(12)15/h2-10,19-20H,11H2,1H3
InChIKeyHOGMQPAOERVHLF-UHFFFAOYSA-N
XLogP3.56
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]-5-methoxyphenol
CID 61263441
2-[(2,4-dimethoxyanilino)methyl]-5-methoxyphenol
CID 61268572
2-chloro-6-[(quinolin-8-ylamino)methyl]phenol
CID 115904886
5-methoxy-2-[[(3-methyl-2-pyridinyl)methylamino]methyl]phenol
CID 55203662
2-N-[(4-methoxyphenyl)methyl]-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112918650
2-[(2,5-dimethylanilino)methyl]-5-methoxyphenol
CID 61267847
N-(pyridin-2-ylmethyl)quinolin-8-amine
CID 20827882
6-methoxy-N-(pyridin-2-ylmethyl)quinolin-8-amine
CID 11708748
2-[(2,4-dibromoanilino)methyl]-5-methoxyphenol
CID 61263805
2-[(3-bromoanilino)methyl]-5-methoxyphenol
CID 61267663
N-[(4-bromothiophen-3-yl)methyl]quinolin-8-amine
CID 112739609
8-[(2-bromo-5-methoxyphenyl)methoxy]quinoline
CID 25270942

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(quinolin-8-ylamino)methyl]phenol?
The IUPAC name of 5-methoxy-2-[(quinolin-8-ylamino)methyl]phenol (CID 61268574) is 5-methoxy-2-[(quinolin-8-ylamino)methyl]phenol.
What is the SMILES notation for 5-methoxy-2-[(quinolin-8-ylamino)methyl]phenol?
The canonical SMILES for 5-methoxy-2-[(quinolin-8-ylamino)methyl]phenol is COc1ccc(CNc2cccc3cccnc23)c(O)c1.
What is the InChIKey of 5-methoxy-2-[(quinolin-8-ylamino)methyl]phenol?
The InChIKey is HOGMQPAOERVHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-21-14-8-7-13(16(20)10-14)11-19-15-6-2-4-12-5-3-9-18-17(12)15/h2-10,19-20H,11H2,1H3.
What are the key properties of 5-methoxy-2-[(quinolin-8-ylamino)methyl]phenol?
5-methoxy-2-[(quinolin-8-ylamino)methyl]phenol has a molecular weight of 280.33 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(quinolin-8-ylamino)methyl]phenol is sourced from PubChem (CID 61268574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).