2-methyl-7-[pyridin-3-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol

C21H18N4O — CID 3651915

IUPAC2-methyl-7-[pyridin-3-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol
SMILESCc1ccc2ccc(C(Nc3ccccn3)c3cccnc3)c(O)c2n1
InChIInChI=1S/C21H18N4O/c1-14-7-8-15-9-10-17(21(26)20(15)24-14)19(16-5-4-11-22-13-16)25-18-6-2-3-12-23-18/h2-13,19,26H,1H3,(H,23,25)
InChIKeyOFMIIQLTLSPRQI-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.24
Rot. Bonds4

About 2-methyl-7-[pyridin-3-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol

2-methyl-7-[pyridin-3-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol (PubChem CID 3651915) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-methyl-7-[pyridin-3-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol.

Molecular Properties

Compound Name2-methyl-7-[pyridin-3-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol
PubChem CID3651915
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name2-methyl-7-[pyridin-3-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol
SMILESCc1ccc2ccc(C(Nc3ccccn3)c3cccnc3)c(O)c2n1
InChIInChI=1S/C21H18N4O/c1-14-7-8-15-9-10-17(21(26)20(15)24-14)19(16-5-4-11-22-13-16)25-18-6-2-3-12-23-18/h2-13,19,26H,1H3,(H,23,25)
InChIKeyOFMIIQLTLSPRQI-UHFFFAOYSA-N
XLogP4.24
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[pyridin-3-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The IUPAC name of 2-methyl-7-[pyridin-3-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol (CID 3651915) is 2-methyl-7-[pyridin-3-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol.
What is the SMILES notation for 2-methyl-7-[pyridin-3-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The canonical SMILES for 2-methyl-7-[pyridin-3-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol is Cc1ccc2ccc(C(Nc3ccccn3)c3cccnc3)c(O)c2n1.
What is the InChIKey of 2-methyl-7-[pyridin-3-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The InChIKey is OFMIIQLTLSPRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-14-7-8-15-9-10-17(21(26)20(15)24-14)19(16-5-4-11-22-13-16)25-18-6-2-3-12-23-18/h2-13,19,26H,1H3,(H,23,25).
What are the key properties of 2-methyl-7-[pyridin-3-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol?
2-methyl-7-[pyridin-3-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol has a molecular weight of 342.40 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[pyridin-3-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol is sourced from PubChem (CID 3651915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).