5-[(pyridin-2-ylamino)methyl]quinolin-8-ol

C15H13N3O — CID 965010

IUPAC5-[(pyridin-2-ylamino)methyl]quinolin-8-ol
SMILESOc1ccc(CNc2ccccn2)c2cccnc12
InChIInChI=1S/C15H13N3O/c19-13-7-6-11(12-4-3-9-17-15(12)13)10-18-14-5-1-2-8-16-14/h1-9,19H,10H2,(H,16,18)
InChIKeyFEKDIEXJLUWHRY-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.95
Rot. Bonds3

About 5-[(pyridin-2-ylamino)methyl]quinolin-8-ol

5-[(pyridin-2-ylamino)methyl]quinolin-8-ol (PubChem CID 965010) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-[(pyridin-2-ylamino)methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[(pyridin-2-ylamino)methyl]quinolin-8-ol
PubChem CID965010
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name5-[(pyridin-2-ylamino)methyl]quinolin-8-ol
SMILESOc1ccc(CNc2ccccn2)c2cccnc12
InChIInChI=1S/C15H13N3O/c19-13-7-6-11(12-4-3-9-17-15(12)13)10-18-14-5-1-2-8-16-14/h1-9,19H,10H2,(H,16,18)
InChIKeyFEKDIEXJLUWHRY-UHFFFAOYSA-N
XLogP2.95
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(pyridin-2-ylamino)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-[(pyridin-2-ylamino)methyl]quinolin-8-ol?
The IUPAC name of 5-[(pyridin-2-ylamino)methyl]quinolin-8-ol (CID 965010) is 5-[(pyridin-2-ylamino)methyl]quinolin-8-ol.
What is the SMILES notation for 5-[(pyridin-2-ylamino)methyl]quinolin-8-ol?
The canonical SMILES for 5-[(pyridin-2-ylamino)methyl]quinolin-8-ol is Oc1ccc(CNc2ccccn2)c2cccnc12.
What is the InChIKey of 5-[(pyridin-2-ylamino)methyl]quinolin-8-ol?
The InChIKey is FEKDIEXJLUWHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c19-13-7-6-11(12-4-3-9-17-15(12)13)10-18-14-5-1-2-8-16-14/h1-9,19H,10H2,(H,16,18).
What are the key properties of 5-[(pyridin-2-ylamino)methyl]quinolin-8-ol?
5-[(pyridin-2-ylamino)methyl]quinolin-8-ol has a molecular weight of 251.29 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(pyridin-2-ylamino)methyl]quinolin-8-ol is sourced from PubChem (CID 965010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).