5,7-dichloro-3-[4-(diethylamino)phenyl]-3-methyl-1H-quinoline-2,4-dione

C20H20Cl2N2O2 — CID 11574663

IUPAC5,7-dichloro-3-[4-(diethylamino)phenyl]-3-methyl-1H-quinoline-2,4-dione
SMILESCCN(CC)c1ccc(C2(C)C(=O)Nc3cc(Cl)cc(Cl)c3C2=O)cc1
InChIInChI=1S/C20H20Cl2N2O2/c1-4-24(5-2)14-8-6-12(7-9-14)20(3)18(25)17-15(22)10-13(21)11-16(17)23-19(20)26/h6-11H,4-5H2,1-3H3,(H,23,26)
InChIKeyPSUUEBWZTJTEDC-UHFFFAOYSA-N
MW391.30 g/mol
LogP4.93
Rot. Bonds4

About 5,7-dichloro-3-[4-(diethylamino)phenyl]-3-methyl-1H-quinoline-2,4-dione

5,7-dichloro-3-[4-(diethylamino)phenyl]-3-methyl-1H-quinoline-2,4-dione (PubChem CID 11574663) has the molecular formula C20H20Cl2N2O2 and a molecular weight of 391.30 g/mol. Its IUPAC name is 5,7-dichloro-3-[4-(diethylamino)phenyl]-3-methyl-1H-quinoline-2,4-dione.

Molecular Properties

Compound Name5,7-dichloro-3-[4-(diethylamino)phenyl]-3-methyl-1H-quinoline-2,4-dione
PubChem CID11574663
Molecular FormulaC20H20Cl2N2O2
Molecular Weight391.30 g/mol
Exact Mass390.09
IUPAC Name5,7-dichloro-3-[4-(diethylamino)phenyl]-3-methyl-1H-quinoline-2,4-dione
SMILESCCN(CC)c1ccc(C2(C)C(=O)Nc3cc(Cl)cc(Cl)c3C2=O)cc1
InChIInChI=1S/C20H20Cl2N2O2/c1-4-24(5-2)14-8-6-12(7-9-14)20(3)18(25)17-15(22)10-13(21)11-16(17)23-19(20)26/h6-11H,4-5H2,1-3H3,(H,23,26)
InChIKeyPSUUEBWZTJTEDC-UHFFFAOYSA-N
XLogP4.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5,7-dichloro-3-(4-(dimethylamino)phenyl)-3-methylquinoline-2,4(1H,3H)-dione
CID 11501432
5-chloro-7-dimethylamino-3-methyl-3-phenyl-1H-quinoline-2,4-dione
CID 11508173
3-(4-bromo-phenyl)-5,7-dichloro-3-methyl-1H-quinoline-2,4-dione
CID 11560362
3-(4-amino-phenyl)-5,7-dichloro-3-methyl-1H-quinoline-2,4-dione
CID 11573559
5,7-dichloro-3-methyl-3-(4-ethylamino-phenyl)-1H-quinoline-2,4-dione
CID 11574113
5,7-dichloro-3-(4-chlorophenyl)-3-methylquinoline-2,4(1H,3H)-dione
CID 11631738
5,7-dichloro-3-methyl-3-phenyl-1H-quinoline-2,4-dione
CID 11638332
5,7-dichloro-3-methyl-3-(4-(methylamino)phenyl)quinoline-2,4(1H,3H)-dione
CID 11681803
5,7-dichloro-3-(4-iodophenyl)-3-methylquinoline-2,4(1H,3H)-dione
CID 11683768
4-Chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,3-dimethyl-2,4-dihydroquinolin-6-yl]benzamide
CID 72720562
4-Chloro-3-[1-(2-chloro-6-fluorobenzoyl)-4,4-dimethyl-2,3-dihydroquinolin-6-yl]benzamide
CID 72722092
6-Chloro-3-(2,4-dichlorophenyl)-3,4-dihydro-1,9(2H,10H)-acridinedione
CID 613127

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-3-[4-(diethylamino)phenyl]-3-methyl-1H-quinoline-2,4-dione?
The IUPAC name of 5,7-dichloro-3-[4-(diethylamino)phenyl]-3-methyl-1H-quinoline-2,4-dione (CID 11574663) is 5,7-dichloro-3-[4-(diethylamino)phenyl]-3-methyl-1H-quinoline-2,4-dione.
What is the SMILES notation for 5,7-dichloro-3-[4-(diethylamino)phenyl]-3-methyl-1H-quinoline-2,4-dione?
The canonical SMILES for 5,7-dichloro-3-[4-(diethylamino)phenyl]-3-methyl-1H-quinoline-2,4-dione is CCN(CC)c1ccc(C2(C)C(=O)Nc3cc(Cl)cc(Cl)c3C2=O)cc1.
What is the InChIKey of 5,7-dichloro-3-[4-(diethylamino)phenyl]-3-methyl-1H-quinoline-2,4-dione?
The InChIKey is PSUUEBWZTJTEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O2/c1-4-24(5-2)14-8-6-12(7-9-14)20(3)18(25)17-15(22)10-13(21)11-16(17)23-19(20)26/h6-11H,4-5H2,1-3H3,(H,23,26).
What are the key properties of 5,7-dichloro-3-[4-(diethylamino)phenyl]-3-methyl-1H-quinoline-2,4-dione?
5,7-dichloro-3-[4-(diethylamino)phenyl]-3-methyl-1H-quinoline-2,4-dione has a molecular weight of 391.30 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-3-[4-(diethylamino)phenyl]-3-methyl-1H-quinoline-2,4-dione is sourced from PubChem (CID 11574663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).