3a-[(E)-2-(6-methoxyquinolin-3-yl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one

C24H23N3O2 — CID 6286459

IUPAC3a-[(E)-2-(6-methoxyquinolin-3-yl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
SMILESCOc1ccc2ncc(/C=C/C34NC(=O)CN3c3ccccc3C4(C)C)cc2c1
InChIInChI=1S/C24H23N3O2/c1-23(2)19-6-4-5-7-21(19)27-15-22(28)26-24(23,27)11-10-16-12-17-13-18(29-3)8-9-20(17)25-14-16/h4-14H,15H2,1-3H3,(H,26,28)/b11-10+
InChIKeyAAHHTLIZFZOYIZ-ZHACJKMWSA-N
MW385.47 g/mol
LogP3.88
Rot. Bonds3

About 3a-[(E)-2-(6-methoxyquinolin-3-yl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one

3a-[(E)-2-(6-methoxyquinolin-3-yl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one (PubChem CID 6286459) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 3a-[(E)-2-(6-methoxyquinolin-3-yl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one.

Molecular Properties

Compound Name3a-[(E)-2-(6-methoxyquinolin-3-yl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
PubChem CID6286459
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name3a-[(E)-2-(6-methoxyquinolin-3-yl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
SMILESCOc1ccc2ncc(/C=C/C34NC(=O)CN3c3ccccc3C4(C)C)cc2c1
InChIInChI=1S/C24H23N3O2/c1-23(2)19-6-4-5-7-21(19)27-15-22(28)26-24(23,27)11-10-16-12-17-13-18(29-3)8-9-20(17)25-14-16/h4-14H,15H2,1-3H3,(H,26,28)/b11-10+
InChIKeyAAHHTLIZFZOYIZ-ZHACJKMWSA-N
XLogP3.88
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3a-[(E)-2-(6-methoxyquinolin-3-yl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one?
The IUPAC name of 3a-[(E)-2-(6-methoxyquinolin-3-yl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one (CID 6286459) is 3a-[(E)-2-(6-methoxyquinolin-3-yl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one.
What is the SMILES notation for 3a-[(E)-2-(6-methoxyquinolin-3-yl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one?
The canonical SMILES for 3a-[(E)-2-(6-methoxyquinolin-3-yl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one is COc1ccc2ncc(/C=C/C34NC(=O)CN3c3ccccc3C4(C)C)cc2c1.
What is the InChIKey of 3a-[(E)-2-(6-methoxyquinolin-3-yl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one?
The InChIKey is AAHHTLIZFZOYIZ-ZHACJKMWSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-23(2)19-6-4-5-7-21(19)27-15-22(28)26-24(23,27)11-10-16-12-17-13-18(29-3)8-9-20(17)25-14-16/h4-14H,15H2,1-3H3,(H,26,28)/b11-10+.
What are the key properties of 3a-[(E)-2-(6-methoxyquinolin-3-yl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one?
3a-[(E)-2-(6-methoxyquinolin-3-yl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one has a molecular weight of 385.47 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-[(E)-2-(6-methoxyquinolin-3-yl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one is sourced from PubChem (CID 6286459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).