dimethyl 2,6-dimethyl-4-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate

C21H22N2O5 — CID 645054

IUPACdimethyl 2,6-dimethyl-4-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc2cc(C)ccc2[nH]c1=O
InChIInChI=1S/C21H22N2O5/c1-10-6-7-15-13(8-10)9-14(19(24)23-15)18-16(20(25)27-4)11(2)22-12(3)17(18)21(26)28-5/h6-9,18,22H,1-5H3,(H,23,24)
InChIKeyFGINANBKQOFFHD-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.42
Rot. Bonds3

About dimethyl 2,6-dimethyl-4-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate

dimethyl 2,6-dimethyl-4-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 645054) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is dimethyl 2,6-dimethyl-4-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2,6-dimethyl-4-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID645054
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Namedimethyl 2,6-dimethyl-4-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc2cc(C)ccc2[nH]c1=O
InChIInChI=1S/C21H22N2O5/c1-10-6-7-15-13(8-10)9-14(19(24)23-15)18-16(20(25)27-4)11(2)22-12(3)17(18)21(26)28-5/h6-9,18,22H,1-5H3,(H,23,24)
InChIKeyFGINANBKQOFFHD-UHFFFAOYSA-N
XLogP2.42
TPSA97.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze dimethyl 2,6-dimethyl-4-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2,6-dimethyl-4-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 2,6-dimethyl-4-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate (CID 645054) is dimethyl 2,6-dimethyl-4-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 2,6-dimethyl-4-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 2,6-dimethyl-4-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate is COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc2cc(C)ccc2[nH]c1=O.
What is the InChIKey of dimethyl 2,6-dimethyl-4-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is FGINANBKQOFFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-10-6-7-15-13(8-10)9-14(19(24)23-15)18-16(20(25)27-4)11(2)22-12(3)17(18)21(26)28-5/h6-9,18,22H,1-5H3,(H,23,24).
What are the key properties of dimethyl 2,6-dimethyl-4-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
dimethyl 2,6-dimethyl-4-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 382.42 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,6-dimethyl-4-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 645054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).