5-[[(3-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol

C16H15N3O — CID 654330

IUPAC5-[[(3-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
SMILESCc1cccnc1NCc1ccc(O)c2ncccc12
InChIInChI=1S/C16H15N3O/c1-11-4-2-9-18-16(11)19-10-12-6-7-14(20)15-13(12)5-3-8-17-15/h2-9,20H,10H2,1H3,(H,18,19)
InChIKeyMGGAFSYXLMNOHY-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.26
Rot. Bonds3

About 5-[[(3-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol

5-[[(3-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol (PubChem CID 654330) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 5-[[(3-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[[(3-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
PubChem CID654330
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name5-[[(3-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
SMILESCc1cccnc1NCc1ccc(O)c2ncccc12
InChIInChI=1S/C16H15N3O/c1-11-4-2-9-18-16(11)19-10-12-6-7-14(20)15-13(12)5-3-8-17-15/h2-9,20H,10H2,1H3,(H,18,19)
InChIKeyMGGAFSYXLMNOHY-UHFFFAOYSA-N
XLogP3.26
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[(3-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol?
The IUPAC name of 5-[[(3-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol (CID 654330) is 5-[[(3-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol.
What is the SMILES notation for 5-[[(3-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol?
The canonical SMILES for 5-[[(3-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol is Cc1cccnc1NCc1ccc(O)c2ncccc12.
What is the InChIKey of 5-[[(3-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol?
The InChIKey is MGGAFSYXLMNOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-11-4-2-9-18-16(11)19-10-12-6-7-14(20)15-13(12)5-3-8-17-15/h2-9,20H,10H2,1H3,(H,18,19).
What are the key properties of 5-[[(3-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol?
5-[[(3-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol has a molecular weight of 265.32 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol is sourced from PubChem (CID 654330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).