7-amino-2-pyridin-3-ylquinoline-5,8-dione

C14H9N3O2 — CID 71661704

IUPAC7-amino-2-pyridin-3-ylquinoline-5,8-dione
SMILESNC1=CC(=O)c2ccc(-c3cccnc3)nc2C1=O
InChIInChI=1S/C14H9N3O2/c15-10-6-12(18)9-3-4-11(17-13(9)14(10)19)8-2-1-5-16-7-8/h1-7H,15H2
InChIKeyGVPXDFWHSPTNIW-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.37
Rot. Bonds1

About 7-amino-2-pyridin-3-ylquinoline-5,8-dione

7-amino-2-pyridin-3-ylquinoline-5,8-dione (PubChem CID 71661704) has the molecular formula C14H9N3O2 and a molecular weight of 251.25 g/mol. Its IUPAC name is 7-amino-2-pyridin-3-ylquinoline-5,8-dione.

Molecular Properties

Compound Name7-amino-2-pyridin-3-ylquinoline-5,8-dione
PubChem CID71661704
Molecular FormulaC14H9N3O2
Molecular Weight251.25 g/mol
Exact Mass251.07
IUPAC Name7-amino-2-pyridin-3-ylquinoline-5,8-dione
SMILESNC1=CC(=O)c2ccc(-c3cccnc3)nc2C1=O
InChIInChI=1S/C14H9N3O2/c15-10-6-12(18)9-3-4-11(17-13(9)14(10)19)8-2-1-5-16-7-8/h1-7H,15H2
InChIKeyGVPXDFWHSPTNIW-UHFFFAOYSA-N
XLogP1.37
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-amino-2-pyridin-3-ylquinoline-5,8-dione?
The IUPAC name of 7-amino-2-pyridin-3-ylquinoline-5,8-dione (CID 71661704) is 7-amino-2-pyridin-3-ylquinoline-5,8-dione.
What is the SMILES notation for 7-amino-2-pyridin-3-ylquinoline-5,8-dione?
The canonical SMILES for 7-amino-2-pyridin-3-ylquinoline-5,8-dione is NC1=CC(=O)c2ccc(-c3cccnc3)nc2C1=O.
What is the InChIKey of 7-amino-2-pyridin-3-ylquinoline-5,8-dione?
The InChIKey is GVPXDFWHSPTNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O2/c15-10-6-12(18)9-3-4-11(17-13(9)14(10)19)8-2-1-5-16-7-8/h1-7H,15H2.
What are the key properties of 7-amino-2-pyridin-3-ylquinoline-5,8-dione?
7-amino-2-pyridin-3-ylquinoline-5,8-dione has a molecular weight of 251.25 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-pyridin-3-ylquinoline-5,8-dione is sourced from PubChem (CID 71661704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).