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

C21H25N3O3 — CID 127044387

IUPACethyl 5-(dipropylcarbamoyl)imidazo[1,5-a]quinoline-3-carboxylate
SMILESCCCN(CCC)C(=O)c1cc2c(C(=O)OCC)ncn2c2ccccc12
InChIInChI=1S/C21H25N3O3/c1-4-11-23(12-5-2)20(25)16-13-18-19(21(26)27-6-3)22-14-24(18)17-10-8-7-9-15(16)17/h7-10,13-14H,4-6,11-12H2,1-3H3
InChIKeyFGBBLDNWJURCCL-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.93
Rot. Bonds7

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

ethyl 5-(dipropylcarbamoyl)imidazo[1,5-a]quinoline-3-carboxylate (PubChem CID 127044387) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is ethyl 5-(dipropylcarbamoyl)imidazo[1,5-a]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(dipropylcarbamoyl)imidazo[1,5-a]quinoline-3-carboxylate
PubChem CID127044387
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Nameethyl 5-(dipropylcarbamoyl)imidazo[1,5-a]quinoline-3-carboxylate
SMILESCCCN(CCC)C(=O)c1cc2c(C(=O)OCC)ncn2c2ccccc12
InChIInChI=1S/C21H25N3O3/c1-4-11-23(12-5-2)20(25)16-13-18-19(21(26)27-6-3)22-14-24(18)17-10-8-7-9-15(16)17/h7-10,13-14H,4-6,11-12H2,1-3H3
InChIKeyFGBBLDNWJURCCL-UHFFFAOYSA-N
XLogP3.93
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ro 14-7437
CID 127597
Ethyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473603
Ethyl (7S)-12-oxo-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylate
CID 10041121
Ethyl 2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473601
Ethyl 6-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473602
ethyl 8-ethyl-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
CID 10245056
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 5-(dipropylcarbamoyl)-7-fluoroimidazo[1,5-a]quinoline-3-carboxylate
CID 127044891
Ethyl 8-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473604
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 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 9926552

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(dipropylcarbamoyl)imidazo[1,5-a]quinoline-3-carboxylate?
The IUPAC name of ethyl 5-(dipropylcarbamoyl)imidazo[1,5-a]quinoline-3-carboxylate (CID 127044387) is ethyl 5-(dipropylcarbamoyl)imidazo[1,5-a]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 5-(dipropylcarbamoyl)imidazo[1,5-a]quinoline-3-carboxylate?
The canonical SMILES for ethyl 5-(dipropylcarbamoyl)imidazo[1,5-a]quinoline-3-carboxylate is CCCN(CCC)C(=O)c1cc2c(C(=O)OCC)ncn2c2ccccc12.
What is the InChIKey of ethyl 5-(dipropylcarbamoyl)imidazo[1,5-a]quinoline-3-carboxylate?
The InChIKey is FGBBLDNWJURCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-4-11-23(12-5-2)20(25)16-13-18-19(21(26)27-6-3)22-14-24(18)17-10-8-7-9-15(16)17/h7-10,13-14H,4-6,11-12H2,1-3H3.
What are the key properties of ethyl 5-(dipropylcarbamoyl)imidazo[1,5-a]quinoline-3-carboxylate?
ethyl 5-(dipropylcarbamoyl)imidazo[1,5-a]quinoline-3-carboxylate has a molecular weight of 367.45 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(dipropylcarbamoyl)imidazo[1,5-a]quinoline-3-carboxylate is sourced from PubChem (CID 127044387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).