7-ethoxy-6-ethyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde

C14H19NO2 — CID 139399459

IUPAC7-ethoxy-6-ethyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
SMILESCCOc1cc2c(cc1CC)CCN(C=O)C2
InChIInChI=1S/C14H19NO2/c1-3-11-7-12-5-6-15(10-16)9-13(12)8-14(11)17-4-2/h7-8,10H,3-6,9H2,1-2H3
InChIKeyBMWHYVAXBVGNFV-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.16
Rot. Bonds4

About 7-ethoxy-6-ethyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde

7-ethoxy-6-ethyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde (PubChem CID 139399459) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 7-ethoxy-6-ethyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde.

Molecular Properties

Compound Name7-ethoxy-6-ethyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
PubChem CID139399459
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name7-ethoxy-6-ethyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
SMILESCCOc1cc2c(cc1CC)CCN(C=O)C2
InChIInChI=1S/C14H19NO2/c1-3-11-7-12-5-6-15(10-16)9-13(12)8-14(11)17-4-2/h7-8,10H,3-6,9H2,1-2H3
InChIKeyBMWHYVAXBVGNFV-UHFFFAOYSA-N
XLogP2.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7,8-dimethoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbaldehyde
CID 15496948
ethyl 7-ethoxy-6-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 83956504
4-[(7-ethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]morpholine
CID 112721569
1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylpentan-1-one
CID 134034068
2-(6-ethoxy-2,3-dihydro-1H-inden-5-yl)ethanamine
CID 170888274
2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-diethylphenyl)acetamide
CID 8992967
6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
CID 134564645
6,7-diethyl-2-methyl-3,4-dihydro-1H-isoquinoline
CID 155395760
7-ethoxy-6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
CID 155395845
tert-butyl 6-[(dimethylamino)methyl]-7-ethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 112721564
5,6,7-trimethoxy-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
CID 11086211
(2S)-2-amino-1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethylbutan-1-one;hydrochloride
CID 119693103

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-6-ethyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde?
The IUPAC name of 7-ethoxy-6-ethyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde (CID 139399459) is 7-ethoxy-6-ethyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde.
What is the SMILES notation for 7-ethoxy-6-ethyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde?
The canonical SMILES for 7-ethoxy-6-ethyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde is CCOc1cc2c(cc1CC)CCN(C=O)C2.
What is the InChIKey of 7-ethoxy-6-ethyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde?
The InChIKey is BMWHYVAXBVGNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-11-7-12-5-6-15(10-16)9-13(12)8-14(11)17-4-2/h7-8,10H,3-6,9H2,1-2H3.
What are the key properties of 7-ethoxy-6-ethyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde?
7-ethoxy-6-ethyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde has a molecular weight of 233.31 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-6-ethyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde is sourced from PubChem (CID 139399459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).