(6-methoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(oxolan-2-yl)methanone

C21H23NO3 — CID 110289151

IUPAC(6-methoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(oxolan-2-yl)methanone
SMILESCOc1ccc2c(c1)CCN(C(=O)C1CCCO1)C2c1ccccc1
InChIInChI=1S/C21H23NO3/c1-24-17-9-10-18-16(14-17)11-12-22(21(23)19-8-5-13-25-19)20(18)15-6-3-2-4-7-15/h2-4,6-7,9-10,14,19-20H,5,8,11-13H2,1H3
InChIKeyPSAWAUSWBLWPJY-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.35
Rot. Bonds3

About (6-methoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(oxolan-2-yl)methanone

(6-methoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(oxolan-2-yl)methanone (PubChem CID 110289151) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is (6-methoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name(6-methoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(oxolan-2-yl)methanone
PubChem CID110289151
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name(6-methoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(oxolan-2-yl)methanone
SMILESCOc1ccc2c(c1)CCN(C(=O)C1CCCO1)C2c1ccccc1
InChIInChI=1S/C21H23NO3/c1-24-17-9-10-18-16(14-17)11-12-22(21(23)19-8-5-13-25-19)20(18)15-6-3-2-4-7-15/h2-4,6-7,9-10,14,19-20H,5,8,11-13H2,1H3
InChIKeyPSAWAUSWBLWPJY-UHFFFAOYSA-N
XLogP3.35
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (6-methoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(oxolan-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6-methoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-4-ylmethanone
CID 110289173
[(1S)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[(2S)-oxolan-2-yl]methanone
CID 163401937
(5-methoxy-2,3-dihydroindol-1-yl)-(oxolan-2-yl)methanone
CID 110714045
[6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(oxolan-2-yl)methanone
CID 43948836
1-[1-(3,5-dimethoxyphenyl)-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 11210018
[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-(3-methoxyphenyl)methanone
CID 992902
ethyl 7-methoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 110289304
1-[(2R)-oxolane-2-carbonyl]-2-phenylpiperidin-4-one
CID 126833195
[(1S)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[(2S)-5-methoxyoxan-2-yl]methanone
CID 167111257
cis-(1R,2S)-2-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclohexane-1-carboxylate
CID 11876939
(1R)-N-(2,4-dimethoxyphenyl)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 92772045
(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-(oxolan-2-yl)methanone
CID 110673151

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(oxolan-2-yl)methanone?
The IUPAC name of (6-methoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(oxolan-2-yl)methanone (CID 110289151) is (6-methoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(oxolan-2-yl)methanone.
What is the SMILES notation for (6-methoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(oxolan-2-yl)methanone?
The canonical SMILES for (6-methoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(oxolan-2-yl)methanone is COc1ccc2c(c1)CCN(C(=O)C1CCCO1)C2c1ccccc1.
What is the InChIKey of (6-methoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(oxolan-2-yl)methanone?
The InChIKey is PSAWAUSWBLWPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-24-17-9-10-18-16(14-17)11-12-22(21(23)19-8-5-13-25-19)20(18)15-6-3-2-4-7-15/h2-4,6-7,9-10,14,19-20H,5,8,11-13H2,1H3.
What are the key properties of (6-methoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(oxolan-2-yl)methanone?
(6-methoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(oxolan-2-yl)methanone has a molecular weight of 337.42 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(oxolan-2-yl)methanone is sourced from PubChem (CID 110289151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).