ethyl 5-(dipropylcarbamoyl)-7-fluoroimidazo[1,5-a]quinoline-3-carboxylate

C21H24FN3O3 — CID 127044891

IUPACethyl 5-(dipropylcarbamoyl)-7-fluoroimidazo[1,5-a]quinoline-3-carboxylate
SMILESCCCN(CCC)C(=O)c1cc2c(C(=O)OCC)ncn2c2ccc(F)cc12
InChIInChI=1S/C21H24FN3O3/c1-4-9-24(10-5-2)20(26)16-12-18-19(21(27)28-6-3)23-13-25(18)17-8-7-14(22)11-15(16)17/h7-8,11-13H,4-6,9-10H2,1-3H3
InChIKeyKQWRZZDCZHTVPT-UHFFFAOYSA-N
MW385.44 g/mol
LogP4.07
Rot. Bonds7

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

ethyl 5-(dipropylcarbamoyl)-7-fluoroimidazo[1,5-a]quinoline-3-carboxylate (PubChem CID 127044891) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is ethyl 5-(dipropylcarbamoyl)-7-fluoroimidazo[1,5-a]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(dipropylcarbamoyl)-7-fluoroimidazo[1,5-a]quinoline-3-carboxylate
PubChem CID127044891
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC Nameethyl 5-(dipropylcarbamoyl)-7-fluoroimidazo[1,5-a]quinoline-3-carboxylate
SMILESCCCN(CCC)C(=O)c1cc2c(C(=O)OCC)ncn2c2ccc(F)cc12
InChIInChI=1S/C21H24FN3O3/c1-4-9-24(10-5-2)20(26)16-12-18-19(21(27)28-6-3)23-13-25(18)17-8-7-14(22)11-15(16)17/h7-8,11-13H,4-6,9-10H2,1-3H3
InChIKeyKQWRZZDCZHTVPT-UHFFFAOYSA-N
XLogP4.07
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 5-(dipropylcarbamoyl)-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

Related Compounds

Flumazenil
CID 3373
Ethyl 6-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473602
Ethyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473603
Flumazenil C-11
CID 449752
Fluoroethylflumazenil F-18
CID 126761
Ethyl 5-(dipropylcarbamoyl)imidazo[1,5-a]quinoline-3-carboxylate
CID 127044387
5-O-tert-butyl 3-O-ethyl 4-methylimidazo[1,5-a]quinoline-3,5-dicarboxylate
CID 127044389
Tert-butyl 5-(dipropylcarbamoyl)-4-methylimidazo[1,5-a]quinoline-3-carboxylate
CID 127044721
Ethyl 8-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473604
CID 6426759
CID 6426759
Ethyl 11-methyl-2,4,10,12-tetrazatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),3,5,8,10,12,14,16-octaene-5-carboxylate
CID 9858249
Ethyl 16-fluoro-11-methyl-2,4,10,12-tetrazatetracyclo[12.4.0.02,6.08,13]octadeca-1(14),3,5,8,10,12,15,17-octaene-5-carboxylate
CID 9923919

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(dipropylcarbamoyl)-7-fluoroimidazo[1,5-a]quinoline-3-carboxylate?
The IUPAC name of ethyl 5-(dipropylcarbamoyl)-7-fluoroimidazo[1,5-a]quinoline-3-carboxylate (CID 127044891) is ethyl 5-(dipropylcarbamoyl)-7-fluoroimidazo[1,5-a]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 5-(dipropylcarbamoyl)-7-fluoroimidazo[1,5-a]quinoline-3-carboxylate?
The canonical SMILES for ethyl 5-(dipropylcarbamoyl)-7-fluoroimidazo[1,5-a]quinoline-3-carboxylate is CCCN(CCC)C(=O)c1cc2c(C(=O)OCC)ncn2c2ccc(F)cc12.
What is the InChIKey of ethyl 5-(dipropylcarbamoyl)-7-fluoroimidazo[1,5-a]quinoline-3-carboxylate?
The InChIKey is KQWRZZDCZHTVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3/c1-4-9-24(10-5-2)20(26)16-12-18-19(21(27)28-6-3)23-13-25(18)17-8-7-14(22)11-15(16)17/h7-8,11-13H,4-6,9-10H2,1-3H3.
What are the key properties of ethyl 5-(dipropylcarbamoyl)-7-fluoroimidazo[1,5-a]quinoline-3-carboxylate?
ethyl 5-(dipropylcarbamoyl)-7-fluoroimidazo[1,5-a]quinoline-3-carboxylate has a molecular weight of 385.44 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(dipropylcarbamoyl)-7-fluoroimidazo[1,5-a]quinoline-3-carboxylate is sourced from PubChem (CID 127044891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).