4-[[(8-methylquinolin-5-yl)amino]methyl]phenol

C17H16N2O — CID 43731510

IUPAC4-[[(8-methylquinolin-5-yl)amino]methyl]phenol
SMILESCc1ccc(NCc2ccc(O)cc2)c2cccnc12
InChIInChI=1S/C17H16N2O/c1-12-4-9-16(15-3-2-10-18-17(12)15)19-11-13-5-7-14(20)8-6-13/h2-10,19-20H,11H2,1H3
InChIKeyNZBBIIXBZSFXQN-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.86
Rot. Bonds3

About 4-[[(8-methylquinolin-5-yl)amino]methyl]phenol

4-[[(8-methylquinolin-5-yl)amino]methyl]phenol (PubChem CID 43731510) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-[[(8-methylquinolin-5-yl)amino]methyl]phenol.

Molecular Properties

Compound Name4-[[(8-methylquinolin-5-yl)amino]methyl]phenol
PubChem CID43731510
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name4-[[(8-methylquinolin-5-yl)amino]methyl]phenol
SMILESCc1ccc(NCc2ccc(O)cc2)c2cccnc12
InChIInChI=1S/C17H16N2O/c1-12-4-9-16(15-3-2-10-18-17(12)15)19-11-13-5-7-14(20)8-6-13/h2-10,19-20H,11H2,1H3
InChIKeyNZBBIIXBZSFXQN-UHFFFAOYSA-N
XLogP3.86
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(8-methylquinolin-5-yl)amino]methyl]phenol?
The IUPAC name of 4-[[(8-methylquinolin-5-yl)amino]methyl]phenol (CID 43731510) is 4-[[(8-methylquinolin-5-yl)amino]methyl]phenol.
What is the SMILES notation for 4-[[(8-methylquinolin-5-yl)amino]methyl]phenol?
The canonical SMILES for 4-[[(8-methylquinolin-5-yl)amino]methyl]phenol is Cc1ccc(NCc2ccc(O)cc2)c2cccnc12.
What is the InChIKey of 4-[[(8-methylquinolin-5-yl)amino]methyl]phenol?
The InChIKey is NZBBIIXBZSFXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-12-4-9-16(15-3-2-10-18-17(12)15)19-11-13-5-7-14(20)8-6-13/h2-10,19-20H,11H2,1H3.
What are the key properties of 4-[[(8-methylquinolin-5-yl)amino]methyl]phenol?
4-[[(8-methylquinolin-5-yl)amino]methyl]phenol has a molecular weight of 264.33 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(8-methylquinolin-5-yl)amino]methyl]phenol is sourced from PubChem (CID 43731510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).