methyl 1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate

C28H26FN3O5 — CID 142187984

IUPACmethyl 1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate
SMILESCOC(=O)c1c(N2CCN(C(=O)c3ccco3)CC2)c2cc(C)ccc2n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C28H26FN3O5/c1-18-5-10-22-21(16-18)25(30-11-13-31(14-12-30)26(33)23-4-3-15-37-23)24(28(35)36-2)27(34)32(22)17-19-6-8-20(29)9-7-19/h3-10,15-16H,11-14,17H2,1-2H3
InChIKeyVZBKMVGNOOLURF-UHFFFAOYSA-N
MW503.53 g/mol
LogP3.84
Rot. Bonds5

About methyl 1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate

methyl 1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate (PubChem CID 142187984) has the molecular formula C28H26FN3O5 and a molecular weight of 503.53 g/mol. Its IUPAC name is methyl 1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate
PubChem CID142187984
Molecular FormulaC28H26FN3O5
Molecular Weight503.53 g/mol
Exact Mass503.19
IUPAC Namemethyl 1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate
SMILESCOC(=O)c1c(N2CCN(C(=O)c3ccco3)CC2)c2cc(C)ccc2n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C28H26FN3O5/c1-18-5-10-22-21(16-18)25(30-11-13-31(14-12-30)26(33)23-4-3-15-37-23)24(28(35)36-2)27(34)32(22)17-19-6-8-20(29)9-7-19/h3-10,15-16H,11-14,17H2,1-2H3
InChIKeyVZBKMVGNOOLURF-UHFFFAOYSA-N
XLogP3.84
TPSA84.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.53
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Furalaxyl
CID 42504
Benzyl furanyl fentanyl
CID 42853213
Furanylfentanyl
CID 13653606
4-Fluorofuranyl fentanyl
CID 91825762
(4~{R})-1-[4-(4-fluorophenyl)phenyl]-4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 162624754
3-Methylfuranylfentanyl
CID 13653754
ortho-Fluorofuranyl fentanyl (N-(2-fluorophenyl)-N-(1-phenethylpiperidin-4-yl)furan-2-carboxamide)
CID 13653679
Furanylfentanyl hydrochloride
CID 118796423
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 795870
N-(2,4-dimethylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide
CID 662829
N-(2,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide
CID 1397247
3-[4-(Furan-2-carbonyl)piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 2950507

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate?
The IUPAC name of methyl 1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate (CID 142187984) is methyl 1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate.
What is the SMILES notation for methyl 1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate?
The canonical SMILES for methyl 1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate is COC(=O)c1c(N2CCN(C(=O)c3ccco3)CC2)c2cc(C)ccc2n(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of methyl 1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate?
The InChIKey is VZBKMVGNOOLURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN3O5/c1-18-5-10-22-21(16-18)25(30-11-13-31(14-12-30)26(33)23-4-3-15-37-23)24(28(35)36-2)27(34)32(22)17-19-6-8-20(29)9-7-19/h3-10,15-16H,11-14,17H2,1-2H3.
What are the key properties of methyl 1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate?
methyl 1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate has a molecular weight of 503.53 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate is sourced from PubChem (CID 142187984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).