5-[(5-chloroquinolin-8-yl)methylamino]-2-methylphenol

C17H15ClN2O — CID 107699715

IUPAC5-[(5-chloroquinolin-8-yl)methylamino]-2-methylphenol
SMILESCc1ccc(NCc2ccc(Cl)c3cccnc23)cc1O
InChIInChI=1S/C17H15ClN2O/c1-11-4-6-13(9-16(11)21)20-10-12-5-7-15(18)14-3-2-8-19-17(12)14/h2-9,20-21H,10H2,1H3
InChIKeyFUPQQWAYFUQCQH-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.51
Rot. Bonds3

About 5-[(5-chloroquinolin-8-yl)methylamino]-2-methylphenol

5-[(5-chloroquinolin-8-yl)methylamino]-2-methylphenol (PubChem CID 107699715) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 5-[(5-chloroquinolin-8-yl)methylamino]-2-methylphenol.

Molecular Properties

Compound Name5-[(5-chloroquinolin-8-yl)methylamino]-2-methylphenol
PubChem CID107699715
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name5-[(5-chloroquinolin-8-yl)methylamino]-2-methylphenol
SMILESCc1ccc(NCc2ccc(Cl)c3cccnc23)cc1O
InChIInChI=1S/C17H15ClN2O/c1-11-4-6-13(9-16(11)21)20-10-12-5-7-15(18)14-3-2-8-19-17(12)14/h2-9,20-21H,10H2,1H3
InChIKeyFUPQQWAYFUQCQH-UHFFFAOYSA-N
XLogP4.51
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[(5-chloroquinolin-8-yl)methyl]-3-methylaniline
CID 115958965
N-[(5-chloroquinolin-8-yl)methyl]-3-(1,2,4-triazol-4-ylmethyl)aniline
CID 71918504
N-[(5-chloroquinolin-8-yl)methyl]-2-fluoro-4-methylaniline
CID 115959079
1-(5-chloroquinolin-8-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 115697462
(5-chloroquinolin-8-yl)methylhydrazine
CID 112617928
5-[(4-bromo-2-chlorophenyl)methylamino]-2-methylphenol
CID 107699880
1-(5-chloroquinolin-8-yl)-N-ethoxymethanamine
CID 112686388
5-[(3-chloroanilino)methyl]quinolin-8-ol
CID 698143
4-bromo-2-chloro-N-[(5-chloroquinolin-8-yl)methyl]aniline
CID 115959103
3-[(5-chloroquinolin-8-yl)methylamino]-2,2-dimethylpropanamide
CID 103765788
5-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine
CID 60928600
N-[(5-chloroquinolin-8-yl)methyl]-2H-tetrazol-5-amine
CID 91661943

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloroquinolin-8-yl)methylamino]-2-methylphenol?
The IUPAC name of 5-[(5-chloroquinolin-8-yl)methylamino]-2-methylphenol (CID 107699715) is 5-[(5-chloroquinolin-8-yl)methylamino]-2-methylphenol.
What is the SMILES notation for 5-[(5-chloroquinolin-8-yl)methylamino]-2-methylphenol?
The canonical SMILES for 5-[(5-chloroquinolin-8-yl)methylamino]-2-methylphenol is Cc1ccc(NCc2ccc(Cl)c3cccnc23)cc1O.
What is the InChIKey of 5-[(5-chloroquinolin-8-yl)methylamino]-2-methylphenol?
The InChIKey is FUPQQWAYFUQCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-11-4-6-13(9-16(11)21)20-10-12-5-7-15(18)14-3-2-8-19-17(12)14/h2-9,20-21H,10H2,1H3.
What are the key properties of 5-[(5-chloroquinolin-8-yl)methylamino]-2-methylphenol?
5-[(5-chloroquinolin-8-yl)methylamino]-2-methylphenol has a molecular weight of 298.77 g/mol, XLogP of 4.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloroquinolin-8-yl)methylamino]-2-methylphenol is sourced from PubChem (CID 107699715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).