ethyl 4-(hydroxymethyl)-5-phenylimidazo[1,5-a]quinoline-3-carboxylate

C21H18N2O3 — CID 127045354

IUPACethyl 4-(hydroxymethyl)-5-phenylimidazo[1,5-a]quinoline-3-carboxylate
SMILESCCOC(=O)c1ncn2c1c(CO)c(-c1ccccc1)c1ccccc12
InChIInChI=1S/C21H18N2O3/c1-2-26-21(25)19-20-16(12-24)18(14-8-4-3-5-9-14)15-10-6-7-11-17(15)23(20)13-22-19/h3-11,13,24H,2,12H2,1H3
InChIKeyOIXKEOPKVMIFIA-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.82
Rot. Bonds4

About ethyl 4-(hydroxymethyl)-5-phenylimidazo[1,5-a]quinoline-3-carboxylate

ethyl 4-(hydroxymethyl)-5-phenylimidazo[1,5-a]quinoline-3-carboxylate (PubChem CID 127045354) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is ethyl 4-(hydroxymethyl)-5-phenylimidazo[1,5-a]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(hydroxymethyl)-5-phenylimidazo[1,5-a]quinoline-3-carboxylate
PubChem CID127045354
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Nameethyl 4-(hydroxymethyl)-5-phenylimidazo[1,5-a]quinoline-3-carboxylate
SMILESCCOC(=O)c1ncn2c1c(CO)c(-c1ccccc1)c1ccccc12
InChIInChI=1S/C21H18N2O3/c1-2-26-21(25)19-20-16(12-24)18(14-8-4-3-5-9-14)15-10-6-7-11-17(15)23(20)13-22-19/h3-11,13,24H,2,12H2,1H3
InChIKeyOIXKEOPKVMIFIA-UHFFFAOYSA-N
XLogP3.82
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(hydroxymethyl)-5-phenylimidazo[1,5-a]quinoline-3-carboxylate?
The IUPAC name of ethyl 4-(hydroxymethyl)-5-phenylimidazo[1,5-a]quinoline-3-carboxylate (CID 127045354) is ethyl 4-(hydroxymethyl)-5-phenylimidazo[1,5-a]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-(hydroxymethyl)-5-phenylimidazo[1,5-a]quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-(hydroxymethyl)-5-phenylimidazo[1,5-a]quinoline-3-carboxylate is CCOC(=O)c1ncn2c1c(CO)c(-c1ccccc1)c1ccccc12.
What is the InChIKey of ethyl 4-(hydroxymethyl)-5-phenylimidazo[1,5-a]quinoline-3-carboxylate?
The InChIKey is OIXKEOPKVMIFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-2-26-21(25)19-20-16(12-24)18(14-8-4-3-5-9-14)15-10-6-7-11-17(15)23(20)13-22-19/h3-11,13,24H,2,12H2,1H3.
What are the key properties of ethyl 4-(hydroxymethyl)-5-phenylimidazo[1,5-a]quinoline-3-carboxylate?
ethyl 4-(hydroxymethyl)-5-phenylimidazo[1,5-a]quinoline-3-carboxylate has a molecular weight of 346.39 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(hydroxymethyl)-5-phenylimidazo[1,5-a]quinoline-3-carboxylate is sourced from PubChem (CID 127045354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).