ethyl 8-benzyl-4-(dimethylamino)-6-methyl-2-oxo-1H-quinoline-3-carboxylate

C22H24N2O3 — CID 69191226

IUPACethyl 8-benzyl-4-(dimethylamino)-6-methyl-2-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(N(C)C)c2cc(C)cc(Cc3ccccc3)c2[nH]c1=O
InChIInChI=1S/C22H24N2O3/c1-5-27-22(26)18-20(24(3)4)17-12-14(2)11-16(19(17)23-21(18)25)13-15-9-7-6-8-10-15/h6-12H,5,13H2,1-4H3,(H,23,25)
InChIKeyVFOXESZIMFOFDE-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.67
Rot. Bonds5

About ethyl 8-benzyl-4-(dimethylamino)-6-methyl-2-oxo-1H-quinoline-3-carboxylate

ethyl 8-benzyl-4-(dimethylamino)-6-methyl-2-oxo-1H-quinoline-3-carboxylate (PubChem CID 69191226) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is ethyl 8-benzyl-4-(dimethylamino)-6-methyl-2-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-benzyl-4-(dimethylamino)-6-methyl-2-oxo-1H-quinoline-3-carboxylate
PubChem CID69191226
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Nameethyl 8-benzyl-4-(dimethylamino)-6-methyl-2-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(N(C)C)c2cc(C)cc(Cc3ccccc3)c2[nH]c1=O
InChIInChI=1S/C22H24N2O3/c1-5-27-22(26)18-20(24(3)4)17-12-14(2)11-16(19(17)23-21(18)25)13-15-9-7-6-8-10-15/h6-12H,5,13H2,1-4H3,(H,23,25)
InChIKeyVFOXESZIMFOFDE-UHFFFAOYSA-N
XLogP3.67
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 2-benzyl-4,9-dioxo-1H-benzo[f]indole-3-carboxylate
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ethyl 4-(naphthalen-1-ylmethyl)-2-oxo-1H-quinoline-3-carboxylate
CID 15856844
methyl 4-benzyl-2-oxo-6-phenyl-1H-pyridine-3-carboxylate
CID 90822779
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CID 102202429

Frequently Asked Questions

What is the IUPAC name of ethyl 8-benzyl-4-(dimethylamino)-6-methyl-2-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 8-benzyl-4-(dimethylamino)-6-methyl-2-oxo-1H-quinoline-3-carboxylate (CID 69191226) is ethyl 8-benzyl-4-(dimethylamino)-6-methyl-2-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 8-benzyl-4-(dimethylamino)-6-methyl-2-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 8-benzyl-4-(dimethylamino)-6-methyl-2-oxo-1H-quinoline-3-carboxylate is CCOC(=O)c1c(N(C)C)c2cc(C)cc(Cc3ccccc3)c2[nH]c1=O.
What is the InChIKey of ethyl 8-benzyl-4-(dimethylamino)-6-methyl-2-oxo-1H-quinoline-3-carboxylate?
The InChIKey is VFOXESZIMFOFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-5-27-22(26)18-20(24(3)4)17-12-14(2)11-16(19(17)23-21(18)25)13-15-9-7-6-8-10-15/h6-12H,5,13H2,1-4H3,(H,23,25).
What are the key properties of ethyl 8-benzyl-4-(dimethylamino)-6-methyl-2-oxo-1H-quinoline-3-carboxylate?
ethyl 8-benzyl-4-(dimethylamino)-6-methyl-2-oxo-1H-quinoline-3-carboxylate has a molecular weight of 364.45 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-benzyl-4-(dimethylamino)-6-methyl-2-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 69191226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).