5-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)furan-2-carbaldehyde

C15H13NO3 — CID 169335246

IUPAC5-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)furan-2-carbaldehyde
SMILESCN1CCc2cc(-c3ccc(C=O)o3)ccc2C1=O
InChIInChI=1S/C15H13NO3/c1-16-7-6-10-8-11(2-4-13(10)15(16)18)14-5-3-12(9-17)19-14/h2-5,8-9H,6-7H2,1H3
InChIKeyNTXWYEBCGIDIIL-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.39
Rot. Bonds2

About 5-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)furan-2-carbaldehyde

5-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)furan-2-carbaldehyde (PubChem CID 169335246) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 5-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)furan-2-carbaldehyde
PubChem CID169335246
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name5-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)furan-2-carbaldehyde
SMILESCN1CCc2cc(-c3ccc(C=O)o3)ccc2C1=O
InChIInChI=1S/C15H13NO3/c1-16-7-6-10-8-11(2-4-13(10)15(16)18)14-5-3-12(9-17)19-14/h2-5,8-9H,6-7H2,1H3
InChIKeyNTXWYEBCGIDIIL-UHFFFAOYSA-N
XLogP2.39
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)furan-2-carbaldehyde
CID 675050
5-(1,3,3-trimethyl-2H-indol-5-yl)furan-2-carbaldehyde
CID 169335380
5-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)furan-2-carbaldehyde
CID 169333699
5-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)furan-2-carbaldehyde
CID 169332554
6-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)-2-methyl-3,4-dihydroisoquinolin-1-one
CID 121389340
tert-butyl 6-(5-formylfuran-2-yl)-2-oxo-3,4-dihydroquinoline-1-carboxylate
CID 169333280
5-(1-acetyl-2,3-dihydroindol-7-yl)furan-2-carbaldehyde
CID 169332959
5-[3-(2-oxopyrrolidin-1-yl)phenyl]furan-2-carbaldehyde
CID 169332676
5-(3-iodo-4-methylphenyl)furan-2-carbaldehyde
CID 130498195
5-(1,1,3-trioxo-1,2-benzothiazol-6-yl)furan-2-carbaldehyde
CID 169335383
5-(2,3-dimethylindazol-5-yl)furan-2-carbaldehyde
CID 169335056
ethane;2-methyl-3,4-dihydroisoquinolin-1-one
CID 91447303

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)furan-2-carbaldehyde?
The IUPAC name of 5-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)furan-2-carbaldehyde (CID 169335246) is 5-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)furan-2-carbaldehyde?
The canonical SMILES for 5-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)furan-2-carbaldehyde is CN1CCc2cc(-c3ccc(C=O)o3)ccc2C1=O.
What is the InChIKey of 5-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)furan-2-carbaldehyde?
The InChIKey is NTXWYEBCGIDIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-16-7-6-10-8-11(2-4-13(10)15(16)18)14-5-3-12(9-17)19-14/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 5-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)furan-2-carbaldehyde?
5-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)furan-2-carbaldehyde has a molecular weight of 255.27 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)furan-2-carbaldehyde is sourced from PubChem (CID 169335246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).