benzyl 4-(2-chlorophenyl)-1-[(5-methoxycarbonylfuran-2-yl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate

C27H24ClNO6 — CID 42854119

IUPACbenzyl 4-(2-chlorophenyl)-1-[(5-methoxycarbonylfuran-2-yl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
SMILESCOC(=O)c1ccc(CN2C(=O)CC(c3ccccc3Cl)C(C(=O)OCc3ccccc3)=C2C)o1
InChIInChI=1S/C27H24ClNO6/c1-17-25(27(32)34-16-18-8-4-3-5-9-18)21(20-10-6-7-11-22(20)28)14-24(30)29(17)15-19-12-13-23(35-19)26(31)33-2/h3-13,21H,14-16H2,1-2H3
InChIKeyULPAWYVEZUOJFZ-UHFFFAOYSA-N
MW493.94 g/mol
LogP5.25
Rot. Bonds7

About benzyl 4-(2-chlorophenyl)-1-[(5-methoxycarbonylfuran-2-yl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate

benzyl 4-(2-chlorophenyl)-1-[(5-methoxycarbonylfuran-2-yl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate (PubChem CID 42854119) has the molecular formula C27H24ClNO6 and a molecular weight of 493.94 g/mol. Its IUPAC name is benzyl 4-(2-chlorophenyl)-1-[(5-methoxycarbonylfuran-2-yl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(2-chlorophenyl)-1-[(5-methoxycarbonylfuran-2-yl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
PubChem CID42854119
Molecular FormulaC27H24ClNO6
Molecular Weight493.94 g/mol
Exact Mass493.13
IUPAC Namebenzyl 4-(2-chlorophenyl)-1-[(5-methoxycarbonylfuran-2-yl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
SMILESCOC(=O)c1ccc(CN2C(=O)CC(c3ccccc3Cl)C(C(=O)OCc3ccccc3)=C2C)o1
InChIInChI=1S/C27H24ClNO6/c1-17-25(27(32)34-16-18-8-4-3-5-9-18)21(20-10-6-7-11-22(20)28)14-24(30)29(17)15-19-12-13-23(35-19)26(31)33-2/h3-13,21H,14-16H2,1-2H3
InChIKeyULPAWYVEZUOJFZ-UHFFFAOYSA-N
XLogP5.25
TPSA86.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.94
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl 4-(2-chlorophenyl)-1-[(2,4-difluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42854547
ethyl 4-(2-chlorophenyl)-6-methyl-2-oxo-1-[[3-(propan-2-ylcarbamoyl)phenyl]methyl]-3,4-dihydropyridine-5-carboxylate
CID 42761203
tert-butyl (4R)-4-(2-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 93332150
ethyl (4S)-1-[(5-methoxycarbonylfuran-2-yl)methyl]-6-methyl-4-(3-nitrophenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 93331639
prop-2-enyl 1-[(5-methoxycarbonylfuran-2-yl)methyl]-4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42854252
ethyl 6-methyl-2-oxo-4-phenyl-1-[[5-(pyrrolidine-1-carbonyl)furan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate
CID 3900834
ethyl 4-(2-chlorophenyl)-1-[[3-(3-methoxypropylcarbamoyl)phenyl]methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 3963991
2-methoxyethyl 4-(2-chlorophenyl)-1-[(2,6-difluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42854607
ethyl (4R)-6-methyl-2-oxo-4-phenyl-1-[[5-(propylcarbamoyl)furan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate
CID 7440057
benzyl 4-(4-fluorophenyl)-6-methyl-1-[(4-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42854562
2-methylpropyl 4-(2-chlorophenyl)-1-[(3,4-difluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 46049453
ethyl 4-(2-fluorophenyl)-1-[(4-methoxycarbonylphenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42854031

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(2-chlorophenyl)-1-[(5-methoxycarbonylfuran-2-yl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
The IUPAC name of benzyl 4-(2-chlorophenyl)-1-[(5-methoxycarbonylfuran-2-yl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate (CID 42854119) is benzyl 4-(2-chlorophenyl)-1-[(5-methoxycarbonylfuran-2-yl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate.
What is the SMILES notation for benzyl 4-(2-chlorophenyl)-1-[(5-methoxycarbonylfuran-2-yl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
The canonical SMILES for benzyl 4-(2-chlorophenyl)-1-[(5-methoxycarbonylfuran-2-yl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate is COC(=O)c1ccc(CN2C(=O)CC(c3ccccc3Cl)C(C(=O)OCc3ccccc3)=C2C)o1.
What is the InChIKey of benzyl 4-(2-chlorophenyl)-1-[(5-methoxycarbonylfuran-2-yl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
The InChIKey is ULPAWYVEZUOJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClNO6/c1-17-25(27(32)34-16-18-8-4-3-5-9-18)21(20-10-6-7-11-22(20)28)14-24(30)29(17)15-19-12-13-23(35-19)26(31)33-2/h3-13,21H,14-16H2,1-2H3.
What are the key properties of benzyl 4-(2-chlorophenyl)-1-[(5-methoxycarbonylfuran-2-yl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
benzyl 4-(2-chlorophenyl)-1-[(5-methoxycarbonylfuran-2-yl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate has a molecular weight of 493.94 g/mol, XLogP of 5.25, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(2-chlorophenyl)-1-[(5-methoxycarbonylfuran-2-yl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate is sourced from PubChem (CID 42854119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).