furan-2-ylmethyl 7-fluoro-3-methyl-6-pyrrolidin-1-ylquinoxaline-2-carboxylate

C19H18FN3O3 — CID 23823845

IUPACfuran-2-ylmethyl 7-fluoro-3-methyl-6-pyrrolidin-1-ylquinoxaline-2-carboxylate
SMILESCc1nc2cc(N3CCCC3)c(F)cc2nc1C(=O)OCc1ccco1
InChIInChI=1S/C19H18FN3O3/c1-12-18(19(24)26-11-13-5-4-8-25-13)22-15-9-14(20)17(10-16(15)21-12)23-6-2-3-7-23/h4-5,8-10H,2-3,6-7,11H2,1H3
InChIKeyKEIFOGTYEVCKNX-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.63
Rot. Bonds4

About furan-2-ylmethyl 7-fluoro-3-methyl-6-pyrrolidin-1-ylquinoxaline-2-carboxylate

furan-2-ylmethyl 7-fluoro-3-methyl-6-pyrrolidin-1-ylquinoxaline-2-carboxylate (PubChem CID 23823845) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is furan-2-ylmethyl 7-fluoro-3-methyl-6-pyrrolidin-1-ylquinoxaline-2-carboxylate.

Molecular Properties

Compound Namefuran-2-ylmethyl 7-fluoro-3-methyl-6-pyrrolidin-1-ylquinoxaline-2-carboxylate
PubChem CID23823845
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Namefuran-2-ylmethyl 7-fluoro-3-methyl-6-pyrrolidin-1-ylquinoxaline-2-carboxylate
SMILESCc1nc2cc(N3CCCC3)c(F)cc2nc1C(=O)OCc1ccco1
InChIInChI=1S/C19H18FN3O3/c1-12-18(19(24)26-11-13-5-4-8-25-13)22-15-9-14(20)17(10-16(15)21-12)23-6-2-3-7-23/h4-5,8-10H,2-3,6-7,11H2,1H3
InChIKeyKEIFOGTYEVCKNX-UHFFFAOYSA-N
XLogP3.63
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze furan-2-ylmethyl 7-fluoro-3-methyl-6-pyrrolidin-1-ylquinoxaline-2-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 furan-2-ylmethyl 7-fluoro-3-methyl-6-pyrrolidin-1-ylquinoxaline-2-carboxylate?
The IUPAC name of furan-2-ylmethyl 7-fluoro-3-methyl-6-pyrrolidin-1-ylquinoxaline-2-carboxylate (CID 23823845) is furan-2-ylmethyl 7-fluoro-3-methyl-6-pyrrolidin-1-ylquinoxaline-2-carboxylate.
What is the SMILES notation for furan-2-ylmethyl 7-fluoro-3-methyl-6-pyrrolidin-1-ylquinoxaline-2-carboxylate?
The canonical SMILES for furan-2-ylmethyl 7-fluoro-3-methyl-6-pyrrolidin-1-ylquinoxaline-2-carboxylate is Cc1nc2cc(N3CCCC3)c(F)cc2nc1C(=O)OCc1ccco1.
What is the InChIKey of furan-2-ylmethyl 7-fluoro-3-methyl-6-pyrrolidin-1-ylquinoxaline-2-carboxylate?
The InChIKey is KEIFOGTYEVCKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-12-18(19(24)26-11-13-5-4-8-25-13)22-15-9-14(20)17(10-16(15)21-12)23-6-2-3-7-23/h4-5,8-10H,2-3,6-7,11H2,1H3.
What are the key properties of furan-2-ylmethyl 7-fluoro-3-methyl-6-pyrrolidin-1-ylquinoxaline-2-carboxylate?
furan-2-ylmethyl 7-fluoro-3-methyl-6-pyrrolidin-1-ylquinoxaline-2-carboxylate has a molecular weight of 355.37 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethyl 7-fluoro-3-methyl-6-pyrrolidin-1-ylquinoxaline-2-carboxylate is sourced from PubChem (CID 23823845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).