ethyl 5-(dipropylcarbamoyl)-4-ethylimidazo[1,5-a]quinoline-3-carboxylate

C23H29N3O3 — CID 127044882

IUPACethyl 5-(dipropylcarbamoyl)-4-ethylimidazo[1,5-a]quinoline-3-carboxylate
SMILESCCCN(CCC)C(=O)c1c(CC)c2c(C(=O)OCC)ncn2c2ccccc12
InChIInChI=1S/C23H29N3O3/c1-5-13-25(14-6-2)22(27)19-16(7-3)21-20(23(28)29-8-4)24-15-26(21)18-12-10-9-11-17(18)19/h9-12,15H,5-8,13-14H2,1-4H3
InChIKeySXOZDSFZRSCZRC-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.49
Rot. Bonds8

About ethyl 5-(dipropylcarbamoyl)-4-ethylimidazo[1,5-a]quinoline-3-carboxylate

ethyl 5-(dipropylcarbamoyl)-4-ethylimidazo[1,5-a]quinoline-3-carboxylate (PubChem CID 127044882) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is ethyl 5-(dipropylcarbamoyl)-4-ethylimidazo[1,5-a]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(dipropylcarbamoyl)-4-ethylimidazo[1,5-a]quinoline-3-carboxylate
PubChem CID127044882
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Nameethyl 5-(dipropylcarbamoyl)-4-ethylimidazo[1,5-a]quinoline-3-carboxylate
SMILESCCCN(CCC)C(=O)c1c(CC)c2c(C(=O)OCC)ncn2c2ccccc12
InChIInChI=1S/C23H29N3O3/c1-5-13-25(14-6-2)22(27)19-16(7-3)21-20(23(28)29-8-4)24-15-26(21)18-12-10-9-11-17(18)19/h9-12,15H,5-8,13-14H2,1-4H3
InChIKeySXOZDSFZRSCZRC-UHFFFAOYSA-N
XLogP4.49
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(2-ethoxy-2-oxoethyl)-5-phenylimidazo[1,5-a]quinoline-3-carboxylate
CID 127044085
ethyl 8-methyl-7-oxo-2,4,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carboxylate
CID 14460551
ethyl 5-morpholin-4-ylimidazo[1,5-a]quinazoline-3-carboxylate
CID 18953495
ethyl imidazo[5,1-b][1,3]benzothiazole-3-carboxylate
CID 132577655
[2-(dipropylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 9288074
N,3,4-triethyl-N-propylquinoline-2-carboxamide
CID 56994978
diethyl pyrazolo[1,5-a]pyridine-2,3-dicarboxylate
CID 53487001
tert-butyl 4-methyl-5-(pyrrolidine-1-carbonyl)imidazo[1,5-a]quinoline-3-carboxylate
CID 21220800
diethyl 1-benzylimidazole-4,5-dicarboxylate
CID 852453
ethyl 5-butan-2-yl-1-[4-(dipropylcarbamoyl)phenyl]pyrazole-3-carboxylate
CID 46082487
ethyl 7-sulfamoylpyrido[1,2-a]indole-10-carboxylate
CID 66667458
N,N-dipropylacridine-9-carboxamide
CID 170440983

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(dipropylcarbamoyl)-4-ethylimidazo[1,5-a]quinoline-3-carboxylate?
The IUPAC name of ethyl 5-(dipropylcarbamoyl)-4-ethylimidazo[1,5-a]quinoline-3-carboxylate (CID 127044882) is ethyl 5-(dipropylcarbamoyl)-4-ethylimidazo[1,5-a]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 5-(dipropylcarbamoyl)-4-ethylimidazo[1,5-a]quinoline-3-carboxylate?
The canonical SMILES for ethyl 5-(dipropylcarbamoyl)-4-ethylimidazo[1,5-a]quinoline-3-carboxylate is CCCN(CCC)C(=O)c1c(CC)c2c(C(=O)OCC)ncn2c2ccccc12.
What is the InChIKey of ethyl 5-(dipropylcarbamoyl)-4-ethylimidazo[1,5-a]quinoline-3-carboxylate?
The InChIKey is SXOZDSFZRSCZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-5-13-25(14-6-2)22(27)19-16(7-3)21-20(23(28)29-8-4)24-15-26(21)18-12-10-9-11-17(18)19/h9-12,15H,5-8,13-14H2,1-4H3.
What are the key properties of ethyl 5-(dipropylcarbamoyl)-4-ethylimidazo[1,5-a]quinoline-3-carboxylate?
ethyl 5-(dipropylcarbamoyl)-4-ethylimidazo[1,5-a]quinoline-3-carboxylate has a molecular weight of 395.50 g/mol, XLogP of 4.49, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(dipropylcarbamoyl)-4-ethylimidazo[1,5-a]quinoline-3-carboxylate is sourced from PubChem (CID 127044882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).