3-pyridin-4-ylquinoline-5,7-diol

C14H10N2O2 — CID 135474209

IUPAC3-pyridin-4-ylquinoline-5,7-diol
SMILESOc1cc(O)c2cc(-c3ccncc3)cnc2c1
InChIInChI=1S/C14H10N2O2/c17-11-6-13-12(14(18)7-11)5-10(8-16-13)9-1-3-15-4-2-9/h1-8,17-18H
InChIKeyQYWQBBCHWNMFSG-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.71
Rot. Bonds1

About 3-pyridin-4-ylquinoline-5,7-diol

3-pyridin-4-ylquinoline-5,7-diol (PubChem CID 135474209) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 3-pyridin-4-ylquinoline-5,7-diol.

Molecular Properties

Compound Name3-pyridin-4-ylquinoline-5,7-diol
PubChem CID135474209
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name3-pyridin-4-ylquinoline-5,7-diol
SMILESOc1cc(O)c2cc(-c3ccncc3)cnc2c1
InChIInChI=1S/C14H10N2O2/c17-11-6-13-12(14(18)7-11)5-10(8-16-13)9-1-3-15-4-2-9/h1-8,17-18H
InChIKeyQYWQBBCHWNMFSG-UHFFFAOYSA-N
XLogP2.71
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-ylquinoline-5,7-diol?
The IUPAC name of 3-pyridin-4-ylquinoline-5,7-diol (CID 135474209) is 3-pyridin-4-ylquinoline-5,7-diol.
What is the SMILES notation for 3-pyridin-4-ylquinoline-5,7-diol?
The canonical SMILES for 3-pyridin-4-ylquinoline-5,7-diol is Oc1cc(O)c2cc(-c3ccncc3)cnc2c1.
What is the InChIKey of 3-pyridin-4-ylquinoline-5,7-diol?
The InChIKey is QYWQBBCHWNMFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c17-11-6-13-12(14(18)7-11)5-10(8-16-13)9-1-3-15-4-2-9/h1-8,17-18H.
What are the key properties of 3-pyridin-4-ylquinoline-5,7-diol?
3-pyridin-4-ylquinoline-5,7-diol has a molecular weight of 238.25 g/mol, XLogP of 2.71, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-ylquinoline-5,7-diol is sourced from PubChem (CID 135474209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).