N-[2-(4-fluorophenyl)ethyl]-7,8-dimethoxy-2-oxo-1H-quinoline-3-carboxamide

C20H19FN2O4 — CID 23555594

IUPACN-[2-(4-fluorophenyl)ethyl]-7,8-dimethoxy-2-oxo-1H-quinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c2c1OC
InChIInChI=1S/C20H19FN2O4/c1-26-16-8-5-13-11-15(20(25)23-17(13)18(16)27-2)19(24)22-10-9-12-3-6-14(21)7-4-12/h3-8,11H,9-10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyVLNYVUQPQVEPDW-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.66
Rot. Bonds6

About N-[2-(4-fluorophenyl)ethyl]-7,8-dimethoxy-2-oxo-1H-quinoline-3-carboxamide

N-[2-(4-fluorophenyl)ethyl]-7,8-dimethoxy-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 23555594) has the molecular formula C20H19FN2O4 and a molecular weight of 370.38 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-7,8-dimethoxy-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-7,8-dimethoxy-2-oxo-1H-quinoline-3-carboxamide
PubChem CID23555594
Molecular FormulaC20H19FN2O4
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-7,8-dimethoxy-2-oxo-1H-quinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c2c1OC
InChIInChI=1S/C20H19FN2O4/c1-26-16-8-5-13-11-15(20(25)23-17(13)18(16)27-2)19(24)22-10-9-12-3-6-14(21)7-4-12/h3-8,11H,9-10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyVLNYVUQPQVEPDW-UHFFFAOYSA-N
XLogP2.66
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-fluorophenyl)ethyl]-7,8-dimethoxy-2-oxo-1H-quinoline-3-carboxamide 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 N-[2-(4-fluorophenyl)ethyl]-7,8-dimethoxy-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-7,8-dimethoxy-2-oxo-1H-quinoline-3-carboxamide (CID 23555594) is N-[2-(4-fluorophenyl)ethyl]-7,8-dimethoxy-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-7,8-dimethoxy-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-7,8-dimethoxy-2-oxo-1H-quinoline-3-carboxamide is COc1ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c2c1OC.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-7,8-dimethoxy-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is VLNYVUQPQVEPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4/c1-26-16-8-5-13-11-15(20(25)23-17(13)18(16)27-2)19(24)22-10-9-12-3-6-14(21)7-4-12/h3-8,11H,9-10H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-7,8-dimethoxy-2-oxo-1H-quinoline-3-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-7,8-dimethoxy-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 370.38 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-7,8-dimethoxy-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 23555594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).