5-[(2,3-dimethylanilino)methyl]quinolin-8-ol

C18H18N2O — CID 1090315

IUPAC5-[(2,3-dimethylanilino)methyl]quinolin-8-ol
SMILESCc1cccc(NCc2ccc(O)c3ncccc23)c1C
InChIInChI=1S/C18H18N2O/c1-12-5-3-7-16(13(12)2)20-11-14-8-9-17(21)18-15(14)6-4-10-19-18/h3-10,20-21H,11H2,1-2H3
InChIKeyOTWKFKPJGPWHDP-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.17
Rot. Bonds3

About 5-[(2,3-dimethylanilino)methyl]quinolin-8-ol

5-[(2,3-dimethylanilino)methyl]quinolin-8-ol (PubChem CID 1090315) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 5-[(2,3-dimethylanilino)methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[(2,3-dimethylanilino)methyl]quinolin-8-ol
PubChem CID1090315
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name5-[(2,3-dimethylanilino)methyl]quinolin-8-ol
SMILESCc1cccc(NCc2ccc(O)c3ncccc23)c1C
InChIInChI=1S/C18H18N2O/c1-12-5-3-7-16(13(12)2)20-11-14-8-9-17(21)18-15(14)6-4-10-19-18/h3-10,20-21H,11H2,1-2H3
InChIKeyOTWKFKPJGPWHDP-UHFFFAOYSA-N
XLogP4.17
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dimethylanilino)methyl]quinolin-8-ol?
The IUPAC name of 5-[(2,3-dimethylanilino)methyl]quinolin-8-ol (CID 1090315) is 5-[(2,3-dimethylanilino)methyl]quinolin-8-ol.
What is the SMILES notation for 5-[(2,3-dimethylanilino)methyl]quinolin-8-ol?
The canonical SMILES for 5-[(2,3-dimethylanilino)methyl]quinolin-8-ol is Cc1cccc(NCc2ccc(O)c3ncccc23)c1C.
What is the InChIKey of 5-[(2,3-dimethylanilino)methyl]quinolin-8-ol?
The InChIKey is OTWKFKPJGPWHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-12-5-3-7-16(13(12)2)20-11-14-8-9-17(21)18-15(14)6-4-10-19-18/h3-10,20-21H,11H2,1-2H3.
What are the key properties of 5-[(2,3-dimethylanilino)methyl]quinolin-8-ol?
5-[(2,3-dimethylanilino)methyl]quinolin-8-ol has a molecular weight of 278.36 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dimethylanilino)methyl]quinolin-8-ol is sourced from PubChem (CID 1090315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).