7-[(4-chlorophenyl)-(methylamino)methyl]quinolin-8-ol

C17H15ClN2O — CID 146474872

IUPAC7-[(4-chlorophenyl)-(methylamino)methyl]quinolin-8-ol
SMILESCNC(c1ccc(Cl)cc1)c1ccc2cccnc2c1O
InChIInChI=1S/C17H15ClN2O/c1-19-15(12-4-7-13(18)8-5-12)14-9-6-11-3-2-10-20-16(11)17(14)21/h2-10,15,19,21H,1H3
InChIKeyZQFITMHDTQMBQN-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.90
Rot. Bonds3

About 7-[(4-chlorophenyl)-(methylamino)methyl]quinolin-8-ol

7-[(4-chlorophenyl)-(methylamino)methyl]quinolin-8-ol (PubChem CID 146474872) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 7-[(4-chlorophenyl)-(methylamino)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(4-chlorophenyl)-(methylamino)methyl]quinolin-8-ol
PubChem CID146474872
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name7-[(4-chlorophenyl)-(methylamino)methyl]quinolin-8-ol
SMILESCNC(c1ccc(Cl)cc1)c1ccc2cccnc2c1O
InChIInChI=1S/C17H15ClN2O/c1-19-15(12-4-7-13(18)8-5-12)14-9-6-11-3-2-10-20-16(11)17(14)21/h2-10,15,19,21H,1H3
InChIKeyZQFITMHDTQMBQN-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
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

7-[(2,4-dichlorophenyl)-(methylamino)methyl]quinolin-8-ol
CID 146475110
N-[(S)-(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
CID 711204
7-[(4-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2895250
7-[(4-chloroanilino)-(4-fluorophenyl)methyl]quinolin-8-ol
CID 19232843
7-[(R)-(4-chlorophenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol
CID 6980884
4-chloro-N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide
CID 146475092
7-[(2,4-difluorophenyl)-(methylamino)methyl]quinolin-8-ol
CID 146475105
N-[(R)-(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]cyclohexanecarboxamide
CID 1129407
N-[(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]cyclohexanecarboxamide
CID 2920645
N-[(R)-(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide
CID 1129397
7-[(2,5-dichlorophenyl)-[(5-fluoro-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 58543055
7-[(2,4-dichlorophenyl)-[(6-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol
CID 58543190

Frequently Asked Questions

What is the IUPAC name of 7-[(4-chlorophenyl)-(methylamino)methyl]quinolin-8-ol?
The IUPAC name of 7-[(4-chlorophenyl)-(methylamino)methyl]quinolin-8-ol (CID 146474872) is 7-[(4-chlorophenyl)-(methylamino)methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(4-chlorophenyl)-(methylamino)methyl]quinolin-8-ol?
The canonical SMILES for 7-[(4-chlorophenyl)-(methylamino)methyl]quinolin-8-ol is CNC(c1ccc(Cl)cc1)c1ccc2cccnc2c1O.
What is the InChIKey of 7-[(4-chlorophenyl)-(methylamino)methyl]quinolin-8-ol?
The InChIKey is ZQFITMHDTQMBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-19-15(12-4-7-13(18)8-5-12)14-9-6-11-3-2-10-20-16(11)17(14)21/h2-10,15,19,21H,1H3.
What are the key properties of 7-[(4-chlorophenyl)-(methylamino)methyl]quinolin-8-ol?
7-[(4-chlorophenyl)-(methylamino)methyl]quinolin-8-ol has a molecular weight of 298.77 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-chlorophenyl)-(methylamino)methyl]quinolin-8-ol is sourced from PubChem (CID 146474872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).