6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde

C18H19NO3 — CID 11022872

IUPAC6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
SMILESCOc1cc2c(cc1OC)C(c1ccccc1)N(C=O)CC2
InChIInChI=1S/C18H19NO3/c1-21-16-10-14-8-9-19(12-20)18(13-6-4-3-5-7-13)15(14)11-17(16)22-2/h3-7,10-12,18H,8-9H2,1-2H3
InChIKeyYUPWHECRFWXXAT-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.81
Rot. Bonds4

About 6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde

6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde (PubChem CID 11022872) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde.

Molecular Properties

Compound Name6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
PubChem CID11022872
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
SMILESCOc1cc2c(cc1OC)C(c1ccccc1)N(C=O)CC2
InChIInChI=1S/C18H19NO3/c1-21-16-10-14-8-9-19(12-20)18(13-6-4-3-5-7-13)15(14)11-17(16)22-2/h3-7,10-12,18H,8-9H2,1-2H3
InChIKeyYUPWHECRFWXXAT-UHFFFAOYSA-N
XLogP2.81
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.81
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

6,7-dimethoxy-1,2-diphenyl-3,4-dihydro-1H-isoquinoline
CID 122227728
1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 4869004
2-[(1S)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid
CID 51434142
(1S)-2-benzyl-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline
CID 25389894
[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-methylsulfonylmethanone
CID 7045475
(2E,4E)-1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)hexa-2,4-dien-1-one
CID 24685628
(1S)-1-(deuteriomethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
CID 102185790
(1R)-N-cyclopropyl-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide
CID 7945218
[(1S)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone
CID 92773311
(1S)-1-deuterio-1-(dideuteriomethyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2-carbaldehyde
CID 102185791
(1R)-6,7-dimethoxy-2-[(2R)-2-methylpyrrolidin-1-yl]-1-phenyl-3,4-dihydro-1H-isoquinoline
CID 134925157
1-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methylbutan-1-one
CID 92760085

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde?
The IUPAC name of 6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde (CID 11022872) is 6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde.
What is the SMILES notation for 6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde?
The canonical SMILES for 6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde is COc1cc2c(cc1OC)C(c1ccccc1)N(C=O)CC2.
What is the InChIKey of 6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde?
The InChIKey is YUPWHECRFWXXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-21-16-10-14-8-9-19(12-20)18(13-6-4-3-5-7-13)15(14)11-17(16)22-2/h3-7,10-12,18H,8-9H2,1-2H3.
What are the key properties of 6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde?
6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde has a molecular weight of 297.35 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde is sourced from PubChem (CID 11022872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).