7-[[(5-methyl-1,2-oxazol-3-yl)amino]-pyridin-2-ylmethyl]quinolin-8-ol

C19H16N4O2 — CID 3637394

IUPAC7-[[(5-methyl-1,2-oxazol-3-yl)amino]-pyridin-2-ylmethyl]quinolin-8-ol
SMILESCc1cc(NC(c2ccccn2)c2ccc3cccnc3c2O)no1
InChIInChI=1S/C19H16N4O2/c1-12-11-16(23-25-12)22-18(15-6-2-3-9-20-15)14-8-7-13-5-4-10-21-17(13)19(14)24/h2-11,18,24H,1H3,(H,22,23)
InChIKeyUGIJXGPDGPQILA-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.83
Rot. Bonds4

About 7-[[(5-methyl-1,2-oxazol-3-yl)amino]-pyridin-2-ylmethyl]quinolin-8-ol

7-[[(5-methyl-1,2-oxazol-3-yl)amino]-pyridin-2-ylmethyl]quinolin-8-ol (PubChem CID 3637394) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 7-[[(5-methyl-1,2-oxazol-3-yl)amino]-pyridin-2-ylmethyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[[(5-methyl-1,2-oxazol-3-yl)amino]-pyridin-2-ylmethyl]quinolin-8-ol
PubChem CID3637394
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name7-[[(5-methyl-1,2-oxazol-3-yl)amino]-pyridin-2-ylmethyl]quinolin-8-ol
SMILESCc1cc(NC(c2ccccn2)c2ccc3cccnc3c2O)no1
InChIInChI=1S/C19H16N4O2/c1-12-11-16(23-25-12)22-18(15-6-2-3-9-20-15)14-8-7-13-5-4-10-21-17(13)19(14)24/h2-11,18,24H,1H3,(H,22,23)
InChIKeyUGIJXGPDGPQILA-UHFFFAOYSA-N
XLogP3.83
TPSA84.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[[(5-methyl-1,2-oxazol-3-yl)amino]-pyridin-2-ylmethyl]quinolin-8-ol?
The IUPAC name of 7-[[(5-methyl-1,2-oxazol-3-yl)amino]-pyridin-2-ylmethyl]quinolin-8-ol (CID 3637394) is 7-[[(5-methyl-1,2-oxazol-3-yl)amino]-pyridin-2-ylmethyl]quinolin-8-ol.
What is the SMILES notation for 7-[[(5-methyl-1,2-oxazol-3-yl)amino]-pyridin-2-ylmethyl]quinolin-8-ol?
The canonical SMILES for 7-[[(5-methyl-1,2-oxazol-3-yl)amino]-pyridin-2-ylmethyl]quinolin-8-ol is Cc1cc(NC(c2ccccn2)c2ccc3cccnc3c2O)no1.
What is the InChIKey of 7-[[(5-methyl-1,2-oxazol-3-yl)amino]-pyridin-2-ylmethyl]quinolin-8-ol?
The InChIKey is UGIJXGPDGPQILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-12-11-16(23-25-12)22-18(15-6-2-3-9-20-15)14-8-7-13-5-4-10-21-17(13)19(14)24/h2-11,18,24H,1H3,(H,22,23).
What are the key properties of 7-[[(5-methyl-1,2-oxazol-3-yl)amino]-pyridin-2-ylmethyl]quinolin-8-ol?
7-[[(5-methyl-1,2-oxazol-3-yl)amino]-pyridin-2-ylmethyl]quinolin-8-ol has a molecular weight of 332.36 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(5-methyl-1,2-oxazol-3-yl)amino]-pyridin-2-ylmethyl]quinolin-8-ol is sourced from PubChem (CID 3637394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).