2-(4-methoxyphenyl)imidazo[2,1-a]isoquinoline-3-carbaldehyde

C19H14N2O2 — CID 818106

IUPAC2-(4-methoxyphenyl)imidazo[2,1-a]isoquinoline-3-carbaldehyde
SMILESCOc1ccc(-c2nc3c4ccccc4ccn3c2C=O)cc1
InChIInChI=1S/C19H14N2O2/c1-23-15-8-6-14(7-9-15)18-17(12-22)21-11-10-13-4-2-3-5-16(13)19(21)20-18/h2-12H,1H3
InChIKeySKGYLQUYZWRAHH-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.98
Rot. Bonds3

About 2-(4-methoxyphenyl)imidazo[2,1-a]isoquinoline-3-carbaldehyde

2-(4-methoxyphenyl)imidazo[2,1-a]isoquinoline-3-carbaldehyde (PubChem CID 818106) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)imidazo[2,1-a]isoquinoline-3-carbaldehyde.

Molecular Properties

Compound Name2-(4-methoxyphenyl)imidazo[2,1-a]isoquinoline-3-carbaldehyde
PubChem CID818106
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name2-(4-methoxyphenyl)imidazo[2,1-a]isoquinoline-3-carbaldehyde
SMILESCOc1ccc(-c2nc3c4ccccc4ccn3c2C=O)cc1
InChIInChI=1S/C19H14N2O2/c1-23-15-8-6-14(7-9-15)18-17(12-22)21-11-10-13-4-2-3-5-16(13)19(21)20-18/h2-12H,1H3
InChIKeySKGYLQUYZWRAHH-UHFFFAOYSA-N
XLogP3.98
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)imidazo[2,1-a]isoquinoline-3-carbaldehyde?
The IUPAC name of 2-(4-methoxyphenyl)imidazo[2,1-a]isoquinoline-3-carbaldehyde (CID 818106) is 2-(4-methoxyphenyl)imidazo[2,1-a]isoquinoline-3-carbaldehyde.
What is the SMILES notation for 2-(4-methoxyphenyl)imidazo[2,1-a]isoquinoline-3-carbaldehyde?
The canonical SMILES for 2-(4-methoxyphenyl)imidazo[2,1-a]isoquinoline-3-carbaldehyde is COc1ccc(-c2nc3c4ccccc4ccn3c2C=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)imidazo[2,1-a]isoquinoline-3-carbaldehyde?
The InChIKey is SKGYLQUYZWRAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/c1-23-15-8-6-14(7-9-15)18-17(12-22)21-11-10-13-4-2-3-5-16(13)19(21)20-18/h2-12H,1H3.
What are the key properties of 2-(4-methoxyphenyl)imidazo[2,1-a]isoquinoline-3-carbaldehyde?
2-(4-methoxyphenyl)imidazo[2,1-a]isoquinoline-3-carbaldehyde has a molecular weight of 302.33 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)imidazo[2,1-a]isoquinoline-3-carbaldehyde is sourced from PubChem (CID 818106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).