7-chloro-6-methoxy-2-pyridin-2-ylquinoline-5,8-dione

C15H9ClN2O3 — CID 71400660

IUPAC7-chloro-6-methoxy-2-pyridin-2-ylquinoline-5,8-dione
SMILESCOC1=C(Cl)C(=O)c2nc(-c3ccccn3)ccc2C1=O
InChIInChI=1S/C15H9ClN2O3/c1-21-15-11(16)14(20)12-8(13(15)19)5-6-10(18-12)9-4-2-3-7-17-9/h2-7H,1H3
InChIKeyTZHOIYPPARUHTF-UHFFFAOYSA-N
MW300.70 g/mol
LogP2.62
Rot. Bonds2

About 7-chloro-6-methoxy-2-pyridin-2-ylquinoline-5,8-dione

7-chloro-6-methoxy-2-pyridin-2-ylquinoline-5,8-dione (PubChem CID 71400660) has the molecular formula C15H9ClN2O3 and a molecular weight of 300.70 g/mol. Its IUPAC name is 7-chloro-6-methoxy-2-pyridin-2-ylquinoline-5,8-dione.

Molecular Properties

Compound Name7-chloro-6-methoxy-2-pyridin-2-ylquinoline-5,8-dione
PubChem CID71400660
Molecular FormulaC15H9ClN2O3
Molecular Weight300.70 g/mol
Exact Mass300.03
IUPAC Name7-chloro-6-methoxy-2-pyridin-2-ylquinoline-5,8-dione
SMILESCOC1=C(Cl)C(=O)c2nc(-c3ccccn3)ccc2C1=O
InChIInChI=1S/C15H9ClN2O3/c1-21-15-11(16)14(20)12-8(13(15)19)5-6-10(18-12)9-4-2-3-7-17-9/h2-7H,1H3
InChIKeyTZHOIYPPARUHTF-UHFFFAOYSA-N
XLogP2.62
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.70
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-methoxy-2-pyridin-2-ylquinoline-5,8-dione?
The IUPAC name of 7-chloro-6-methoxy-2-pyridin-2-ylquinoline-5,8-dione (CID 71400660) is 7-chloro-6-methoxy-2-pyridin-2-ylquinoline-5,8-dione.
What is the SMILES notation for 7-chloro-6-methoxy-2-pyridin-2-ylquinoline-5,8-dione?
The canonical SMILES for 7-chloro-6-methoxy-2-pyridin-2-ylquinoline-5,8-dione is COC1=C(Cl)C(=O)c2nc(-c3ccccn3)ccc2C1=O.
What is the InChIKey of 7-chloro-6-methoxy-2-pyridin-2-ylquinoline-5,8-dione?
The InChIKey is TZHOIYPPARUHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2O3/c1-21-15-11(16)14(20)12-8(13(15)19)5-6-10(18-12)9-4-2-3-7-17-9/h2-7H,1H3.
What are the key properties of 7-chloro-6-methoxy-2-pyridin-2-ylquinoline-5,8-dione?
7-chloro-6-methoxy-2-pyridin-2-ylquinoline-5,8-dione has a molecular weight of 300.70 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-methoxy-2-pyridin-2-ylquinoline-5,8-dione is sourced from PubChem (CID 71400660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).