2-chloro-4-methylbenzo[h]quinoline-5,6-dione

C14H8ClNO2 — CID 86148975

IUPAC2-chloro-4-methylbenzo[h]quinoline-5,6-dione
SMILESCc1cc(Cl)nc2c1C(=O)C(=O)c1ccccc1-2
InChIInChI=1S/C14H8ClNO2/c1-7-6-10(15)16-12-8-4-2-3-5-9(8)13(17)14(18)11(7)12/h2-6H,1H3
InChIKeyBLGQPNMYIMNIMY-UHFFFAOYSA-N
MW257.68 g/mol
LogP3.09
Rot. Bonds

About 2-chloro-4-methylbenzo[h]quinoline-5,6-dione

2-chloro-4-methylbenzo[h]quinoline-5,6-dione (PubChem CID 86148975) has the molecular formula C14H8ClNO2 and a molecular weight of 257.68 g/mol. Its IUPAC name is 2-chloro-4-methylbenzo[h]quinoline-5,6-dione.

Molecular Properties

Compound Name2-chloro-4-methylbenzo[h]quinoline-5,6-dione
PubChem CID86148975
Molecular FormulaC14H8ClNO2
Molecular Weight257.68 g/mol
Exact Mass257.02
IUPAC Name2-chloro-4-methylbenzo[h]quinoline-5,6-dione
SMILESCc1cc(Cl)nc2c1C(=O)C(=O)c1ccccc1-2
InChIInChI=1S/C14H8ClNO2/c1-7-6-10(15)16-12-8-4-2-3-5-9(8)13(17)14(18)11(7)12/h2-6H,1H3
InChIKeyBLGQPNMYIMNIMY-UHFFFAOYSA-N
XLogP3.09
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methylbenzo[h]quinoline-5,6-dione?
The IUPAC name of 2-chloro-4-methylbenzo[h]quinoline-5,6-dione (CID 86148975) is 2-chloro-4-methylbenzo[h]quinoline-5,6-dione.
What is the SMILES notation for 2-chloro-4-methylbenzo[h]quinoline-5,6-dione?
The canonical SMILES for 2-chloro-4-methylbenzo[h]quinoline-5,6-dione is Cc1cc(Cl)nc2c1C(=O)C(=O)c1ccccc1-2.
What is the InChIKey of 2-chloro-4-methylbenzo[h]quinoline-5,6-dione?
The InChIKey is BLGQPNMYIMNIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClNO2/c1-7-6-10(15)16-12-8-4-2-3-5-9(8)13(17)14(18)11(7)12/h2-6H,1H3.
What are the key properties of 2-chloro-4-methylbenzo[h]quinoline-5,6-dione?
2-chloro-4-methylbenzo[h]quinoline-5,6-dione has a molecular weight of 257.68 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methylbenzo[h]quinoline-5,6-dione is sourced from PubChem (CID 86148975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).