ethyl 5-[benzyl(methyl)carbamoyl]-4-methylimidazo[1,5-a]quinoline-3-carboxylate

C24H23N3O3 — CID 127044880

IUPACethyl 5-[benzyl(methyl)carbamoyl]-4-methylimidazo[1,5-a]quinoline-3-carboxylate
SMILESCCOC(=O)c1ncn2c1c(C)c(C(=O)N(C)Cc1ccccc1)c1ccccc12
InChIInChI=1S/C24H23N3O3/c1-4-30-24(29)21-22-16(2)20(18-12-8-9-13-19(18)27(22)15-25-21)23(28)26(3)14-17-10-6-5-7-11-17/h5-13,15H,4,14H2,1-3H3
InChIKeyITIFLFKKYDENJZ-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.24
Rot. Bonds5

About ethyl 5-[benzyl(methyl)carbamoyl]-4-methylimidazo[1,5-a]quinoline-3-carboxylate

ethyl 5-[benzyl(methyl)carbamoyl]-4-methylimidazo[1,5-a]quinoline-3-carboxylate (PubChem CID 127044880) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is ethyl 5-[benzyl(methyl)carbamoyl]-4-methylimidazo[1,5-a]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[benzyl(methyl)carbamoyl]-4-methylimidazo[1,5-a]quinoline-3-carboxylate
PubChem CID127044880
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Nameethyl 5-[benzyl(methyl)carbamoyl]-4-methylimidazo[1,5-a]quinoline-3-carboxylate
SMILESCCOC(=O)c1ncn2c1c(C)c(C(=O)N(C)Cc1ccccc1)c1ccccc12
InChIInChI=1S/C24H23N3O3/c1-4-30-24(29)21-22-16(2)20(18-12-8-9-13-19(18)27(22)15-25-21)23(28)26(3)14-17-10-6-5-7-11-17/h5-13,15H,4,14H2,1-3H3
InChIKeyITIFLFKKYDENJZ-UHFFFAOYSA-N
XLogP4.24
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[benzyl(methyl)carbamoyl]-4-methylimidazo[1,5-a]quinoline-3-carboxylate?
The IUPAC name of ethyl 5-[benzyl(methyl)carbamoyl]-4-methylimidazo[1,5-a]quinoline-3-carboxylate (CID 127044880) is ethyl 5-[benzyl(methyl)carbamoyl]-4-methylimidazo[1,5-a]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 5-[benzyl(methyl)carbamoyl]-4-methylimidazo[1,5-a]quinoline-3-carboxylate?
The canonical SMILES for ethyl 5-[benzyl(methyl)carbamoyl]-4-methylimidazo[1,5-a]quinoline-3-carboxylate is CCOC(=O)c1ncn2c1c(C)c(C(=O)N(C)Cc1ccccc1)c1ccccc12.
What is the InChIKey of ethyl 5-[benzyl(methyl)carbamoyl]-4-methylimidazo[1,5-a]quinoline-3-carboxylate?
The InChIKey is ITIFLFKKYDENJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-4-30-24(29)21-22-16(2)20(18-12-8-9-13-19(18)27(22)15-25-21)23(28)26(3)14-17-10-6-5-7-11-17/h5-13,15H,4,14H2,1-3H3.
What are the key properties of ethyl 5-[benzyl(methyl)carbamoyl]-4-methylimidazo[1,5-a]quinoline-3-carboxylate?
ethyl 5-[benzyl(methyl)carbamoyl]-4-methylimidazo[1,5-a]quinoline-3-carboxylate has a molecular weight of 401.47 g/mol, XLogP of 4.24, 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]-4-methylimidazo[1,5-a]quinoline-3-carboxylate is sourced from PubChem (CID 127044880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).