5-[(4-methylanilino)methyl]quinolin-8-ol

C17H16N2O — CID 965016

IUPAC5-[(4-methylanilino)methyl]quinolin-8-ol
SMILESCc1ccc(NCc2ccc(O)c3ncccc23)cc1
InChIInChI=1S/C17H16N2O/c1-12-4-7-14(8-5-12)19-11-13-6-9-16(20)17-15(13)3-2-10-18-17/h2-10,19-20H,11H2,1H3
InChIKeyPVBOZCBROHHDLB-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.86
Rot. Bonds3

About 5-[(4-methylanilino)methyl]quinolin-8-ol

5-[(4-methylanilino)methyl]quinolin-8-ol (PubChem CID 965016) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 5-[(4-methylanilino)methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[(4-methylanilino)methyl]quinolin-8-ol
PubChem CID965016
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name5-[(4-methylanilino)methyl]quinolin-8-ol
SMILESCc1ccc(NCc2ccc(O)c3ncccc23)cc1
InChIInChI=1S/C17H16N2O/c1-12-4-7-14(8-5-12)19-11-13-6-9-16(20)17-15(13)3-2-10-18-17/h2-10,19-20H,11H2,1H3
InChIKeyPVBOZCBROHHDLB-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

Analyze 5-[(4-methylanilino)methyl]quinolin-8-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylanilino)methyl]quinolin-8-ol?
The IUPAC name of 5-[(4-methylanilino)methyl]quinolin-8-ol (CID 965016) is 5-[(4-methylanilino)methyl]quinolin-8-ol.
What is the SMILES notation for 5-[(4-methylanilino)methyl]quinolin-8-ol?
The canonical SMILES for 5-[(4-methylanilino)methyl]quinolin-8-ol is Cc1ccc(NCc2ccc(O)c3ncccc23)cc1.
What is the InChIKey of 5-[(4-methylanilino)methyl]quinolin-8-ol?
The InChIKey is PVBOZCBROHHDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-12-4-7-14(8-5-12)19-11-13-6-9-16(20)17-15(13)3-2-10-18-17/h2-10,19-20H,11H2,1H3.
What are the key properties of 5-[(4-methylanilino)methyl]quinolin-8-ol?
5-[(4-methylanilino)methyl]quinolin-8-ol 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 5-[(4-methylanilino)methyl]quinolin-8-ol is sourced from PubChem (CID 965016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).