2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-quinolin-6-ylethanone

C21H15N3O — CID 154006094

IUPAC2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-quinolin-6-ylethanone
SMILESO=C(CC1c2ccccc2-c2cncn21)c1ccc2ncccc2c1
InChIInChI=1S/C21H15N3O/c25-21(15-7-8-18-14(10-15)4-3-9-23-18)11-19-16-5-1-2-6-17(16)20-12-22-13-24(19)20/h1-10,12-13,19H,11H2
InChIKeyOBWVFWGRIOPLTR-UHFFFAOYSA-N
MW325.37 g/mol
LogP4.27
Rot. Bonds3

About 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-quinolin-6-ylethanone

2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-quinolin-6-ylethanone (PubChem CID 154006094) has the molecular formula C21H15N3O and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-quinolin-6-ylethanone.

Molecular Properties

Compound Name2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-quinolin-6-ylethanone
PubChem CID154006094
Molecular FormulaC21H15N3O
Molecular Weight325.37 g/mol
Exact Mass325.12
IUPAC Name2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-quinolin-6-ylethanone
SMILESO=C(CC1c2ccccc2-c2cncn21)c1ccc2ncccc2c1
InChIInChI=1S/C21H15N3O/c25-21(15-7-8-18-14(10-15)4-3-9-23-18)11-19-16-5-1-2-6-17(16)20-12-22-13-24(19)20/h1-10,12-13,19H,11H2
InChIKeyOBWVFWGRIOPLTR-UHFFFAOYSA-N
XLogP4.27
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanone
CID 118916984
pyridin-3-yl(quinolin-6-yl)methanone
CID 63097549
2-(oxolan-3-yl)-1-quinolin-6-ylethanone
CID 103986220
2-tert-butylsulfanyl-1-quinolin-6-ylethanone
CID 81219969
2-(methylamino)-1-quinolin-6-ylethanone
CID 84669481
N-cyclohexyl-2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)acetamide
CID 121288670
5-amino-1-quinolin-6-ylpentan-1-one
CID 116572003
2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1H-imidazol-2-yl)ethanol
CID 66558971
7-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroquinolin-8-ol
CID 129296165
2-(4-methylphenyl)-1-quinolin-6-ylethanone
CID 63096314
2-(propan-2-ylamino)-1-quinolin-6-ylethanone
CID 116554909
(5-fluoro-3-pyridinyl)-quinolin-6-ylmethanone
CID 55180884

Frequently Asked Questions

What is the IUPAC name of 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-quinolin-6-ylethanone?
The IUPAC name of 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-quinolin-6-ylethanone (CID 154006094) is 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-quinolin-6-ylethanone.
What is the SMILES notation for 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-quinolin-6-ylethanone?
The canonical SMILES for 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-quinolin-6-ylethanone is O=C(CC1c2ccccc2-c2cncn21)c1ccc2ncccc2c1.
What is the InChIKey of 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-quinolin-6-ylethanone?
The InChIKey is OBWVFWGRIOPLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O/c25-21(15-7-8-18-14(10-15)4-3-9-23-18)11-19-16-5-1-2-6-17(16)20-12-22-13-24(19)20/h1-10,12-13,19H,11H2.
What are the key properties of 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-quinolin-6-ylethanone?
2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-quinolin-6-ylethanone has a molecular weight of 325.37 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-quinolin-6-ylethanone is sourced from PubChem (CID 154006094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).