5-chloro-7-(dimethylamino)-3-methyl-3-phenyl-1H-quinoline-2,4-dione

C18H17ClN2O2 — CID 11508173

IUPAC5-chloro-7-(dimethylamino)-3-methyl-3-phenyl-1H-quinoline-2,4-dione
SMILESCN(C)c1cc(Cl)c2c(c1)NC(=O)C(C)(c1ccccc1)C2=O
InChIInChI=1S/C18H17ClN2O2/c1-18(11-7-5-4-6-8-11)16(22)15-13(19)9-12(21(2)3)10-14(15)20-17(18)23/h4-10H,1-3H3,(H,20,23)
InChIKeyXSTDTSSYRYDXIC-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.50
Rot. Bonds2

About 5-chloro-7-(dimethylamino)-3-methyl-3-phenyl-1H-quinoline-2,4-dione

5-chloro-7-(dimethylamino)-3-methyl-3-phenyl-1H-quinoline-2,4-dione (PubChem CID 11508173) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 5-chloro-7-(dimethylamino)-3-methyl-3-phenyl-1H-quinoline-2,4-dione.

Molecular Properties

Compound Name5-chloro-7-(dimethylamino)-3-methyl-3-phenyl-1H-quinoline-2,4-dione
PubChem CID11508173
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name5-chloro-7-(dimethylamino)-3-methyl-3-phenyl-1H-quinoline-2,4-dione
SMILESCN(C)c1cc(Cl)c2c(c1)NC(=O)C(C)(c1ccccc1)C2=O
InChIInChI=1S/C18H17ClN2O2/c1-18(11-7-5-4-6-8-11)16(22)15-13(19)9-12(21(2)3)10-14(15)20-17(18)23/h4-10H,1-3H3,(H,20,23)
InChIKeyXSTDTSSYRYDXIC-UHFFFAOYSA-N
XLogP3.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.50
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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-(dimethylamino)-3-methyl-3-phenyl-1H-quinoline-2,4-dione?
The IUPAC name of 5-chloro-7-(dimethylamino)-3-methyl-3-phenyl-1H-quinoline-2,4-dione (CID 11508173) is 5-chloro-7-(dimethylamino)-3-methyl-3-phenyl-1H-quinoline-2,4-dione.
What is the SMILES notation for 5-chloro-7-(dimethylamino)-3-methyl-3-phenyl-1H-quinoline-2,4-dione?
The canonical SMILES for 5-chloro-7-(dimethylamino)-3-methyl-3-phenyl-1H-quinoline-2,4-dione is CN(C)c1cc(Cl)c2c(c1)NC(=O)C(C)(c1ccccc1)C2=O.
What is the InChIKey of 5-chloro-7-(dimethylamino)-3-methyl-3-phenyl-1H-quinoline-2,4-dione?
The InChIKey is XSTDTSSYRYDXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-18(11-7-5-4-6-8-11)16(22)15-13(19)9-12(21(2)3)10-14(15)20-17(18)23/h4-10H,1-3H3,(H,20,23).
What are the key properties of 5-chloro-7-(dimethylamino)-3-methyl-3-phenyl-1H-quinoline-2,4-dione?
5-chloro-7-(dimethylamino)-3-methyl-3-phenyl-1H-quinoline-2,4-dione has a molecular weight of 328.80 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-(dimethylamino)-3-methyl-3-phenyl-1H-quinoline-2,4-dione is sourced from PubChem (CID 11508173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).