8-anilino-7-chloroquinoline-5,6-dione

C15H9ClN2O2 — CID 620392

IUPAC8-anilino-7-chloroquinoline-5,6-dione
SMILESO=C1C(=O)c2cccnc2C(Nc2ccccc2)=C1Cl
InChIInChI=1S/C15H9ClN2O2/c16-11-13(18-9-5-2-1-3-6-9)12-10(7-4-8-17-12)14(19)15(11)20/h1-8,18H
InChIKeyQXOBPKRFKBTLOO-UHFFFAOYSA-N
MW284.70 g/mol
LogP2.87
Rot. Bonds2

About 8-anilino-7-chloroquinoline-5,6-dione

8-anilino-7-chloroquinoline-5,6-dione (PubChem CID 620392) has the molecular formula C15H9ClN2O2 and a molecular weight of 284.70 g/mol. Its IUPAC name is 8-anilino-7-chloroquinoline-5,6-dione.

Molecular Properties

Compound Name8-anilino-7-chloroquinoline-5,6-dione
PubChem CID620392
Molecular FormulaC15H9ClN2O2
Molecular Weight284.70 g/mol
Exact Mass284.04
IUPAC Name8-anilino-7-chloroquinoline-5,6-dione
SMILESO=C1C(=O)c2cccnc2C(Nc2ccccc2)=C1Cl
InChIInChI=1S/C15H9ClN2O2/c16-11-13(18-9-5-2-1-3-6-9)12-10(7-4-8-17-12)14(19)15(11)20/h1-8,18H
InChIKeyQXOBPKRFKBTLOO-UHFFFAOYSA-N
XLogP2.87
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.70
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-anilino-7-chloroquinoline-5,6-dione?
The IUPAC name of 8-anilino-7-chloroquinoline-5,6-dione (CID 620392) is 8-anilino-7-chloroquinoline-5,6-dione.
What is the SMILES notation for 8-anilino-7-chloroquinoline-5,6-dione?
The canonical SMILES for 8-anilino-7-chloroquinoline-5,6-dione is O=C1C(=O)c2cccnc2C(Nc2ccccc2)=C1Cl.
What is the InChIKey of 8-anilino-7-chloroquinoline-5,6-dione?
The InChIKey is QXOBPKRFKBTLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2O2/c16-11-13(18-9-5-2-1-3-6-9)12-10(7-4-8-17-12)14(19)15(11)20/h1-8,18H.
What are the key properties of 8-anilino-7-chloroquinoline-5,6-dione?
8-anilino-7-chloroquinoline-5,6-dione has a molecular weight of 284.70 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-anilino-7-chloroquinoline-5,6-dione is sourced from PubChem (CID 620392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).