6-(5H-imidazo[5,1-a]isoindol-5-yl)-5-oxo-7,8-dihydro-6H-quinoline-2-carboxamide

C20H16N4O2 — CID 129296330

IUPAC6-(5H-imidazo[5,1-a]isoindol-5-yl)-5-oxo-7,8-dihydro-6H-quinoline-2-carboxamide
SMILESNC(=O)c1ccc2c(n1)CCC(C1c3ccccc3-c3cncn31)C2=O
InChIInChI=1S/C20H16N4O2/c21-20(26)16-8-5-13-15(23-16)7-6-14(19(13)25)18-12-4-2-1-3-11(12)17-9-22-10-24(17)18/h1-5,8-10,14,18H,6-7H2,(H2,21,26)
InChIKeyRHLIQRUJVUOPLX-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.39
Rot. Bonds2

About 6-(5H-imidazo[5,1-a]isoindol-5-yl)-5-oxo-7,8-dihydro-6H-quinoline-2-carboxamide

6-(5H-imidazo[5,1-a]isoindol-5-yl)-5-oxo-7,8-dihydro-6H-quinoline-2-carboxamide (PubChem CID 129296330) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 6-(5H-imidazo[5,1-a]isoindol-5-yl)-5-oxo-7,8-dihydro-6H-quinoline-2-carboxamide.

Molecular Properties

Compound Name6-(5H-imidazo[5,1-a]isoindol-5-yl)-5-oxo-7,8-dihydro-6H-quinoline-2-carboxamide
PubChem CID129296330
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name6-(5H-imidazo[5,1-a]isoindol-5-yl)-5-oxo-7,8-dihydro-6H-quinoline-2-carboxamide
SMILESNC(=O)c1ccc2c(n1)CCC(C1c3ccccc3-c3cncn31)C2=O
InChIInChI=1S/C20H16N4O2/c21-20(26)16-8-5-13-15(23-16)7-6-14(19(13)25)18-12-4-2-1-3-11(12)17-9-22-10-24(17)18/h1-5,8-10,14,18H,6-7H2,(H2,21,26)
InChIKeyRHLIQRUJVUOPLX-UHFFFAOYSA-N
XLogP2.39
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5H-imidazo[5,1-a]isoindol-5-yl)-5-oxo-7,8-dihydro-6H-quinoline-2-carboxamide?
The IUPAC name of 6-(5H-imidazo[5,1-a]isoindol-5-yl)-5-oxo-7,8-dihydro-6H-quinoline-2-carboxamide (CID 129296330) is 6-(5H-imidazo[5,1-a]isoindol-5-yl)-5-oxo-7,8-dihydro-6H-quinoline-2-carboxamide.
What is the SMILES notation for 6-(5H-imidazo[5,1-a]isoindol-5-yl)-5-oxo-7,8-dihydro-6H-quinoline-2-carboxamide?
The canonical SMILES for 6-(5H-imidazo[5,1-a]isoindol-5-yl)-5-oxo-7,8-dihydro-6H-quinoline-2-carboxamide is NC(=O)c1ccc2c(n1)CCC(C1c3ccccc3-c3cncn31)C2=O.
What is the InChIKey of 6-(5H-imidazo[5,1-a]isoindol-5-yl)-5-oxo-7,8-dihydro-6H-quinoline-2-carboxamide?
The InChIKey is RHLIQRUJVUOPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c21-20(26)16-8-5-13-15(23-16)7-6-14(19(13)25)18-12-4-2-1-3-11(12)17-9-22-10-24(17)18/h1-5,8-10,14,18H,6-7H2,(H2,21,26).
What are the key properties of 6-(5H-imidazo[5,1-a]isoindol-5-yl)-5-oxo-7,8-dihydro-6H-quinoline-2-carboxamide?
6-(5H-imidazo[5,1-a]isoindol-5-yl)-5-oxo-7,8-dihydro-6H-quinoline-2-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5H-imidazo[5,1-a]isoindol-5-yl)-5-oxo-7,8-dihydro-6H-quinoline-2-carboxamide is sourced from PubChem (CID 129296330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).