6-chloro-7-(dimethylamino)-2-methylquinoline-5,8-dione

C12H11ClN2O2 — CID 155519005

IUPAC6-chloro-7-(dimethylamino)-2-methylquinoline-5,8-dione
SMILESCc1ccc2c(n1)C(=O)C(N(C)C)=C(Cl)C2=O
InChIInChI=1S/C12H11ClN2O2/c1-6-4-5-7-9(14-6)12(17)10(15(2)3)8(13)11(7)16/h4-5H,1-3H3
InChIKeySVAFSYHSNPIZLI-UHFFFAOYSA-N
MW250.69 g/mol
LogP1.78
Rot. Bonds1

About 6-chloro-7-(dimethylamino)-2-methylquinoline-5,8-dione

6-chloro-7-(dimethylamino)-2-methylquinoline-5,8-dione (PubChem CID 155519005) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 6-chloro-7-(dimethylamino)-2-methylquinoline-5,8-dione.

Molecular Properties

Compound Name6-chloro-7-(dimethylamino)-2-methylquinoline-5,8-dione
PubChem CID155519005
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name6-chloro-7-(dimethylamino)-2-methylquinoline-5,8-dione
SMILESCc1ccc2c(n1)C(=O)C(N(C)C)=C(Cl)C2=O
InChIInChI=1S/C12H11ClN2O2/c1-6-4-5-7-9(14-6)12(17)10(15(2)3)8(13)11(7)16/h4-5H,1-3H3
InChIKeySVAFSYHSNPIZLI-UHFFFAOYSA-N
XLogP1.78
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 6-chloro-7-(dimethylamino)-2-methylquinoline-5,8-dione?
The IUPAC name of 6-chloro-7-(dimethylamino)-2-methylquinoline-5,8-dione (CID 155519005) is 6-chloro-7-(dimethylamino)-2-methylquinoline-5,8-dione.
What is the SMILES notation for 6-chloro-7-(dimethylamino)-2-methylquinoline-5,8-dione?
The canonical SMILES for 6-chloro-7-(dimethylamino)-2-methylquinoline-5,8-dione is Cc1ccc2c(n1)C(=O)C(N(C)C)=C(Cl)C2=O.
What is the InChIKey of 6-chloro-7-(dimethylamino)-2-methylquinoline-5,8-dione?
The InChIKey is SVAFSYHSNPIZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-6-4-5-7-9(14-6)12(17)10(15(2)3)8(13)11(7)16/h4-5H,1-3H3.
What are the key properties of 6-chloro-7-(dimethylamino)-2-methylquinoline-5,8-dione?
6-chloro-7-(dimethylamino)-2-methylquinoline-5,8-dione has a molecular weight of 250.69 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-(dimethylamino)-2-methylquinoline-5,8-dione is sourced from PubChem (CID 155519005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).