ethyl 5-carbamoyl-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate

C20H17FN2O4 — CID 58763035

IUPACethyl 5-carbamoyl-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate
SMILESCCOC(=O)c1cc(C(N)=O)c2cc(Cc3ccc(F)cc3)cnc2c1O
InChIInChI=1S/C20H17FN2O4/c1-2-27-20(26)16-9-15(19(22)25)14-8-12(10-23-17(14)18(16)24)7-11-3-5-13(21)6-4-11/h3-6,8-10,24H,2,7H2,1H3,(H2,22,25)
InChIKeyBDRRJCJPPPVAGA-UHFFFAOYSA-N
MW368.36 g/mol
LogP2.95
Rot. Bonds5

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

ethyl 5-carbamoyl-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate (PubChem CID 58763035) has the molecular formula C20H17FN2O4 and a molecular weight of 368.36 g/mol. Its IUPAC name is ethyl 5-carbamoyl-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate.

Molecular Properties

Compound Nameethyl 5-carbamoyl-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate
PubChem CID58763035
Molecular FormulaC20H17FN2O4
Molecular Weight368.36 g/mol
Exact Mass368.12
IUPAC Nameethyl 5-carbamoyl-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate
SMILESCCOC(=O)c1cc(C(N)=O)c2cc(Cc3ccc(F)cc3)cnc2c1O
InChIInChI=1S/C20H17FN2O4/c1-2-27-20(26)16-9-15(19(22)25)14-8-12(10-23-17(14)18(16)24)7-11-3-5-13(21)6-4-11/h3-6,8-10,24H,2,7H2,1H3,(H2,22,25)
InChIKeyBDRRJCJPPPVAGA-UHFFFAOYSA-N
XLogP2.95
TPSA102.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 5-carbamoyl-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 5-carbamoyl-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate?
The IUPAC name of ethyl 5-carbamoyl-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate (CID 58763035) is ethyl 5-carbamoyl-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate.
What is the SMILES notation for ethyl 5-carbamoyl-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate?
The canonical SMILES for ethyl 5-carbamoyl-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate is CCOC(=O)c1cc(C(N)=O)c2cc(Cc3ccc(F)cc3)cnc2c1O.
What is the InChIKey of ethyl 5-carbamoyl-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate?
The InChIKey is BDRRJCJPPPVAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O4/c1-2-27-20(26)16-9-15(19(22)25)14-8-12(10-23-17(14)18(16)24)7-11-3-5-13(21)6-4-11/h3-6,8-10,24H,2,7H2,1H3,(H2,22,25).
What are the key properties of ethyl 5-carbamoyl-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate?
ethyl 5-carbamoyl-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate has a molecular weight of 368.36 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-carbamoyl-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate is sourced from PubChem (CID 58763035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).