ethyl 5-[benzyl(methyl)carbamoyl]-7-fluoroimidazo[1,5-a]quinoline-3-carboxylate

C23H20FN3O3 — CID 127045047

IUPACethyl 5-[benzyl(methyl)carbamoyl]-7-fluoroimidazo[1,5-a]quinoline-3-carboxylate
SMILESCCOC(=O)c1ncn2c1cc(C(=O)N(C)Cc1ccccc1)c1cc(F)ccc12
InChIInChI=1S/C23H20FN3O3/c1-3-30-23(29)21-20-12-18(22(28)26(2)13-15-7-5-4-6-8-15)17-11-16(24)9-10-19(17)27(20)14-25-21/h4-12,14H,3,13H2,1-2H3
InChIKeyYVEHLVANFLRELQ-UHFFFAOYSA-N
MW405.43 g/mol
LogP4.08
Rot. Bonds5

About ethyl 5-[benzyl(methyl)carbamoyl]-7-fluoroimidazo[1,5-a]quinoline-3-carboxylate

ethyl 5-[benzyl(methyl)carbamoyl]-7-fluoroimidazo[1,5-a]quinoline-3-carboxylate (PubChem CID 127045047) has the molecular formula C23H20FN3O3 and a molecular weight of 405.43 g/mol. Its IUPAC name is ethyl 5-[benzyl(methyl)carbamoyl]-7-fluoroimidazo[1,5-a]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[benzyl(methyl)carbamoyl]-7-fluoroimidazo[1,5-a]quinoline-3-carboxylate
PubChem CID127045047
Molecular FormulaC23H20FN3O3
Molecular Weight405.43 g/mol
Exact Mass405.15
IUPAC Nameethyl 5-[benzyl(methyl)carbamoyl]-7-fluoroimidazo[1,5-a]quinoline-3-carboxylate
SMILESCCOC(=O)c1ncn2c1cc(C(=O)N(C)Cc1ccccc1)c1cc(F)ccc12
InChIInChI=1S/C23H20FN3O3/c1-3-30-23(29)21-20-12-18(22(28)26(2)13-15-7-5-4-6-8-15)17-11-16(24)9-10-19(17)27(20)14-25-21/h4-12,14H,3,13H2,1-2H3
InChIKeyYVEHLVANFLRELQ-UHFFFAOYSA-N
XLogP4.08
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 5-[benzyl(methyl)carbamoyl]-7-fluoroimidazo[1,5-a]quinoline-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

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[benzyl(methyl)carbamoyl]-7-fluoroimidazo[1,5-a]quinoline-3-carboxylate?
The IUPAC name of ethyl 5-[benzyl(methyl)carbamoyl]-7-fluoroimidazo[1,5-a]quinoline-3-carboxylate (CID 127045047) is ethyl 5-[benzyl(methyl)carbamoyl]-7-fluoroimidazo[1,5-a]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 5-[benzyl(methyl)carbamoyl]-7-fluoroimidazo[1,5-a]quinoline-3-carboxylate?
The canonical SMILES for ethyl 5-[benzyl(methyl)carbamoyl]-7-fluoroimidazo[1,5-a]quinoline-3-carboxylate is CCOC(=O)c1ncn2c1cc(C(=O)N(C)Cc1ccccc1)c1cc(F)ccc12.
What is the InChIKey of ethyl 5-[benzyl(methyl)carbamoyl]-7-fluoroimidazo[1,5-a]quinoline-3-carboxylate?
The InChIKey is YVEHLVANFLRELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O3/c1-3-30-23(29)21-20-12-18(22(28)26(2)13-15-7-5-4-6-8-15)17-11-16(24)9-10-19(17)27(20)14-25-21/h4-12,14H,3,13H2,1-2H3.
What are the key properties of ethyl 5-[benzyl(methyl)carbamoyl]-7-fluoroimidazo[1,5-a]quinoline-3-carboxylate?
ethyl 5-[benzyl(methyl)carbamoyl]-7-fluoroimidazo[1,5-a]quinoline-3-carboxylate has a molecular weight of 405.43 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[benzyl(methyl)carbamoyl]-7-fluoroimidazo[1,5-a]quinoline-3-carboxylate is sourced from PubChem (CID 127045047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).