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

C23H21N3O3 — CID 127044863

IUPACethyl 5-[benzyl(methyl)carbamoyl]imidazo[1,5-a]quinoline-3-carboxylate
SMILESCCOC(=O)c1ncn2c1cc(C(=O)N(C)Cc1ccccc1)c1ccccc12
InChIInChI=1S/C23H21N3O3/c1-3-29-23(28)21-20-13-18(17-11-7-8-12-19(17)26(20)15-24-21)22(27)25(2)14-16-9-5-4-6-10-16/h4-13,15H,3,14H2,1-2H3
InChIKeyPJMURFXYVPNPPL-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.94
Rot. Bonds5

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

ethyl 5-[benzyl(methyl)carbamoyl]imidazo[1,5-a]quinoline-3-carboxylate (PubChem CID 127044863) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is ethyl 5-[benzyl(methyl)carbamoyl]imidazo[1,5-a]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[benzyl(methyl)carbamoyl]imidazo[1,5-a]quinoline-3-carboxylate
PubChem CID127044863
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Nameethyl 5-[benzyl(methyl)carbamoyl]imidazo[1,5-a]quinoline-3-carboxylate
SMILESCCOC(=O)c1ncn2c1cc(C(=O)N(C)Cc1ccccc1)c1ccccc12
InChIInChI=1S/C23H21N3O3/c1-3-29-23(28)21-20-13-18(17-11-7-8-12-19(17)26(20)15-24-21)22(27)25(2)14-16-9-5-4-6-10-16/h4-13,15H,3,14H2,1-2H3
InChIKeyPJMURFXYVPNPPL-UHFFFAOYSA-N
XLogP3.94
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.94
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]imidazo[1,5-a]quinoline-3-carboxylate?
The IUPAC name of ethyl 5-[benzyl(methyl)carbamoyl]imidazo[1,5-a]quinoline-3-carboxylate (CID 127044863) is ethyl 5-[benzyl(methyl)carbamoyl]imidazo[1,5-a]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 5-[benzyl(methyl)carbamoyl]imidazo[1,5-a]quinoline-3-carboxylate?
The canonical SMILES for ethyl 5-[benzyl(methyl)carbamoyl]imidazo[1,5-a]quinoline-3-carboxylate is CCOC(=O)c1ncn2c1cc(C(=O)N(C)Cc1ccccc1)c1ccccc12.
What is the InChIKey of ethyl 5-[benzyl(methyl)carbamoyl]imidazo[1,5-a]quinoline-3-carboxylate?
The InChIKey is PJMURFXYVPNPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-3-29-23(28)21-20-13-18(17-11-7-8-12-19(17)26(20)15-24-21)22(27)25(2)14-16-9-5-4-6-10-16/h4-13,15H,3,14H2,1-2H3.
What are the key properties of ethyl 5-[benzyl(methyl)carbamoyl]imidazo[1,5-a]quinoline-3-carboxylate?
ethyl 5-[benzyl(methyl)carbamoyl]imidazo[1,5-a]quinoline-3-carboxylate has a molecular weight of 387.44 g/mol, XLogP of 3.94, 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]imidazo[1,5-a]quinoline-3-carboxylate is sourced from PubChem (CID 127044863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).