ethyl 6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydropyridine-5-carboxylate

C27H30N2O6 — CID 42761434

IUPACethyl 6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(CC(=O)N2CCOCC2)C(=O)CC1c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C27H30N2O6/c1-3-34-27(32)26-19(2)29(18-25(31)28-12-14-33-15-13-28)24(30)17-23(26)20-8-7-11-22(16-20)35-21-9-5-4-6-10-21/h4-11,16,23H,3,12-15,17-18H2,1-2H3
InChIKeyBQTZJCLDQNZWEC-UHFFFAOYSA-N
MW478.55 g/mol
LogP3.49
Rot. Bonds7

About ethyl 6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydropyridine-5-carboxylate

ethyl 6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydropyridine-5-carboxylate (PubChem CID 42761434) has the molecular formula C27H30N2O6 and a molecular weight of 478.55 g/mol. Its IUPAC name is ethyl 6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydropyridine-5-carboxylate
PubChem CID42761434
Molecular FormulaC27H30N2O6
Molecular Weight478.55 g/mol
Exact Mass478.21
IUPAC Nameethyl 6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(CC(=O)N2CCOCC2)C(=O)CC1c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C27H30N2O6/c1-3-34-27(32)26-19(2)29(18-25(31)28-12-14-33-15-13-28)24(30)17-23(26)20-8-7-11-22(16-20)35-21-9-5-4-6-10-21/h4-11,16,23H,3,12-15,17-18H2,1-2H3
InChIKeyBQTZJCLDQNZWEC-UHFFFAOYSA-N
XLogP3.49
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydropyridine-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 1-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-6-methyl-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydropyridine-5-carboxylate
CID 42764741
ethyl 4-(4-fluorophenyl)-6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42761312
ethyl 6-methyl-4-(3-methylphenyl)-2-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-3,4-dihydropyridine-5-carboxylate
CID 3501939
ethyl 6-methyl-1-[2-(3-methylbutylamino)-2-oxoethyl]-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydropyridine-5-carboxylate
CID 42761455
ethyl 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-2-oxo-4-phenyl-3,4-dihydropyridine-5-carboxylate
CID 4545455
ethyl 1-[[5-(4-ethoxycarbonylpiperidine-1-carbonyl)furan-2-yl]methyl]-6-methyl-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydropyridine-5-carboxylate
CID 3409575
ethyl 6-methyl-2-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-4-(4-phenylmethoxyphenyl)-3,4-dihydropyridine-5-carboxylate
CID 42761462
ethyl 4-[2-[4-(3,4-dichlorophenyl)-5-ethoxycarbonyl-6-methyl-2-oxo-3,4-dihydropyridin-1-yl]acetyl]piperazine-1-carboxylate
CID 4535055
ethyl (4R)-4-(4-chlorophenyl)-6-methyl-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3,4-dihydropyridine-5-carboxylate
CID 7249189
(4S)-1-ethyl-6-(2-morpholin-4-yl-2-oxoethyl)-4-(3-phenoxyphenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 93134939
ethyl 1-[[5-(hexylcarbamoyl)furan-2-yl]methyl]-6-methyl-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydropyridine-5-carboxylate
CID 4619626
ethyl 4-(4-chlorophenyl)-1-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42761253

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydropyridine-5-carboxylate?
The IUPAC name of ethyl 6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydropyridine-5-carboxylate (CID 42761434) is ethyl 6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydropyridine-5-carboxylate.
What is the SMILES notation for ethyl 6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydropyridine-5-carboxylate?
The canonical SMILES for ethyl 6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydropyridine-5-carboxylate is CCOC(=O)C1=C(C)N(CC(=O)N2CCOCC2)C(=O)CC1c1cccc(Oc2ccccc2)c1.
What is the InChIKey of ethyl 6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydropyridine-5-carboxylate?
The InChIKey is BQTZJCLDQNZWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O6/c1-3-34-27(32)26-19(2)29(18-25(31)28-12-14-33-15-13-28)24(30)17-23(26)20-8-7-11-22(16-20)35-21-9-5-4-6-10-21/h4-11,16,23H,3,12-15,17-18H2,1-2H3.
What are the key properties of ethyl 6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydropyridine-5-carboxylate?
ethyl 6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydropyridine-5-carboxylate has a molecular weight of 478.55 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydropyridine-5-carboxylate is sourced from PubChem (CID 42761434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).