methyl 3-[(4-fluorophenyl)methyl]-5-[(furan-2-carbonylamino)carbamoyl]-8-hydroxyquinoline-7-carboxylate

C24H18FN3O6 — CID 68819922

IUPACmethyl 3-[(4-fluorophenyl)methyl]-5-[(furan-2-carbonylamino)carbamoyl]-8-hydroxyquinoline-7-carboxylate
SMILESCOC(=O)c1cc(C(=O)NNC(=O)c2ccco2)c2cc(Cc3ccc(F)cc3)cnc2c1O
InChIInChI=1S/C24H18FN3O6/c1-33-24(32)18-11-17(22(30)27-28-23(31)19-3-2-8-34-19)16-10-14(12-26-20(16)21(18)29)9-13-4-6-15(25)7-5-13/h2-8,10-12,29H,9H2,1H3,(H,27,30)(H,28,31)
InChIKeyOUYDAHVPWQWHID-UHFFFAOYSA-N
MW463.42 g/mol
LogP3.12
Rot. Bonds5

About methyl 3-[(4-fluorophenyl)methyl]-5-[(furan-2-carbonylamino)carbamoyl]-8-hydroxyquinoline-7-carboxylate

methyl 3-[(4-fluorophenyl)methyl]-5-[(furan-2-carbonylamino)carbamoyl]-8-hydroxyquinoline-7-carboxylate (PubChem CID 68819922) has the molecular formula C24H18FN3O6 and a molecular weight of 463.42 g/mol. Its IUPAC name is methyl 3-[(4-fluorophenyl)methyl]-5-[(furan-2-carbonylamino)carbamoyl]-8-hydroxyquinoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-fluorophenyl)methyl]-5-[(furan-2-carbonylamino)carbamoyl]-8-hydroxyquinoline-7-carboxylate
PubChem CID68819922
Molecular FormulaC24H18FN3O6
Molecular Weight463.42 g/mol
Exact Mass463.12
IUPAC Namemethyl 3-[(4-fluorophenyl)methyl]-5-[(furan-2-carbonylamino)carbamoyl]-8-hydroxyquinoline-7-carboxylate
SMILESCOC(=O)c1cc(C(=O)NNC(=O)c2ccco2)c2cc(Cc3ccc(F)cc3)cnc2c1O
InChIInChI=1S/C24H18FN3O6/c1-33-24(32)18-11-17(22(30)27-28-23(31)19-3-2-8-34-19)16-10-14(12-26-20(16)21(18)29)9-13-4-6-15(25)7-5-13/h2-8,10-12,29H,9H2,1H3,(H,27,30)(H,28,31)
InChIKeyOUYDAHVPWQWHID-UHFFFAOYSA-N
XLogP3.12
TPSA130.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.42
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(methylaminocarbamoyl)quinoline-7-carboxylate
CID 68822421
methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(2-methoxy-2-oxoacetyl)quinoline-7-carboxylate
CID 68820578
methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(3-hydroxypropylcarbamoyl)quinoline-7-carboxylate
CID 59696263
methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[[methyl(methylcarbamoyl)amino]carbamoyl]quinoline-7-carboxylate
CID 68857767
methyl 5-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate
CID 59696420
methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[2-(2-hydroxyethoxy)ethylcarbamoyl]quinoline-7-carboxylate
CID 68819898
methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(methanesulfonamido)quinoline-7-carboxylate
CID 68821465
methyl 5-[[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate
CID 69198130
methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[(2-methoxyacetyl)amino]quinoline-7-carboxylate
CID 59696459
methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(thiomorpholine-4-carbonyl)quinoline-7-carboxylate
CID 68820424
methyl 5-(ethylcarbamoylamino)-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate
CID 91534837
methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]quinoline-7-carboxylate
CID 152573569

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-fluorophenyl)methyl]-5-[(furan-2-carbonylamino)carbamoyl]-8-hydroxyquinoline-7-carboxylate?
The IUPAC name of methyl 3-[(4-fluorophenyl)methyl]-5-[(furan-2-carbonylamino)carbamoyl]-8-hydroxyquinoline-7-carboxylate (CID 68819922) is methyl 3-[(4-fluorophenyl)methyl]-5-[(furan-2-carbonylamino)carbamoyl]-8-hydroxyquinoline-7-carboxylate.
What is the SMILES notation for methyl 3-[(4-fluorophenyl)methyl]-5-[(furan-2-carbonylamino)carbamoyl]-8-hydroxyquinoline-7-carboxylate?
The canonical SMILES for methyl 3-[(4-fluorophenyl)methyl]-5-[(furan-2-carbonylamino)carbamoyl]-8-hydroxyquinoline-7-carboxylate is COC(=O)c1cc(C(=O)NNC(=O)c2ccco2)c2cc(Cc3ccc(F)cc3)cnc2c1O.
What is the InChIKey of methyl 3-[(4-fluorophenyl)methyl]-5-[(furan-2-carbonylamino)carbamoyl]-8-hydroxyquinoline-7-carboxylate?
The InChIKey is OUYDAHVPWQWHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O6/c1-33-24(32)18-11-17(22(30)27-28-23(31)19-3-2-8-34-19)16-10-14(12-26-20(16)21(18)29)9-13-4-6-15(25)7-5-13/h2-8,10-12,29H,9H2,1H3,(H,27,30)(H,28,31).
What are the key properties of methyl 3-[(4-fluorophenyl)methyl]-5-[(furan-2-carbonylamino)carbamoyl]-8-hydroxyquinoline-7-carboxylate?
methyl 3-[(4-fluorophenyl)methyl]-5-[(furan-2-carbonylamino)carbamoyl]-8-hydroxyquinoline-7-carboxylate has a molecular weight of 463.42 g/mol, XLogP of 3.12, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-fluorophenyl)methyl]-5-[(furan-2-carbonylamino)carbamoyl]-8-hydroxyquinoline-7-carboxylate is sourced from PubChem (CID 68819922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).