7-[[(4-methyl-2-pyridinyl)amino]-pyridin-4-ylmethyl]quinolin-8-ol

C21H18N4O — CID 2895992

IUPAC7-[[(4-methyl-2-pyridinyl)amino]-pyridin-4-ylmethyl]quinolin-8-ol
SMILESCc1ccnc(NC(c2ccncc2)c2ccc3cccnc3c2O)c1
InChIInChI=1S/C21H18N4O/c1-14-6-12-23-18(13-14)25-19(16-7-10-22-11-8-16)17-5-4-15-3-2-9-24-20(15)21(17)26/h2-13,19,26H,1H3,(H,23,25)
InChIKeyTVPUVEWTDLBXFX-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.24
Rot. Bonds4

About 7-[[(4-methyl-2-pyridinyl)amino]-pyridin-4-ylmethyl]quinolin-8-ol

7-[[(4-methyl-2-pyridinyl)amino]-pyridin-4-ylmethyl]quinolin-8-ol (PubChem CID 2895992) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 7-[[(4-methyl-2-pyridinyl)amino]-pyridin-4-ylmethyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[[(4-methyl-2-pyridinyl)amino]-pyridin-4-ylmethyl]quinolin-8-ol
PubChem CID2895992
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name7-[[(4-methyl-2-pyridinyl)amino]-pyridin-4-ylmethyl]quinolin-8-ol
SMILESCc1ccnc(NC(c2ccncc2)c2ccc3cccnc3c2O)c1
InChIInChI=1S/C21H18N4O/c1-14-6-12-23-18(13-14)25-19(16-7-10-22-11-8-16)17-5-4-15-3-2-9-24-20(15)21(17)26/h2-13,19,26H,1H3,(H,23,25)
InChIKeyTVPUVEWTDLBXFX-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 7-[[(4-methyl-2-pyridinyl)amino]-pyridin-4-ylmethyl]quinolin-8-ol?
The IUPAC name of 7-[[(4-methyl-2-pyridinyl)amino]-pyridin-4-ylmethyl]quinolin-8-ol (CID 2895992) is 7-[[(4-methyl-2-pyridinyl)amino]-pyridin-4-ylmethyl]quinolin-8-ol.
What is the SMILES notation for 7-[[(4-methyl-2-pyridinyl)amino]-pyridin-4-ylmethyl]quinolin-8-ol?
The canonical SMILES for 7-[[(4-methyl-2-pyridinyl)amino]-pyridin-4-ylmethyl]quinolin-8-ol is Cc1ccnc(NC(c2ccncc2)c2ccc3cccnc3c2O)c1.
What is the InChIKey of 7-[[(4-methyl-2-pyridinyl)amino]-pyridin-4-ylmethyl]quinolin-8-ol?
The InChIKey is TVPUVEWTDLBXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-14-6-12-23-18(13-14)25-19(16-7-10-22-11-8-16)17-5-4-15-3-2-9-24-20(15)21(17)26/h2-13,19,26H,1H3,(H,23,25).
What are the key properties of 7-[[(4-methyl-2-pyridinyl)amino]-pyridin-4-ylmethyl]quinolin-8-ol?
7-[[(4-methyl-2-pyridinyl)amino]-pyridin-4-ylmethyl]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 7-[[(4-methyl-2-pyridinyl)amino]-pyridin-4-ylmethyl]quinolin-8-ol is sourced from PubChem (CID 2895992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).