[6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(oxolan-2-yl)methanone

C24H29NO6 — CID 43948836

IUPAC[6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(oxolan-2-yl)methanone
SMILESCOc1cc2c(cc1OC)C(COc1ccccc1OC)N(C(=O)C1CCCO1)CC2
InChIInChI=1S/C24H29NO6/c1-27-19-7-4-5-8-20(19)31-15-18-17-14-23(29-3)22(28-2)13-16(17)10-11-25(18)24(26)21-9-6-12-30-21/h4-5,7-8,13-14,18,21H,6,9-12,15H2,1-3H3
InChIKeyVMAWVCZPDHIUKL-UHFFFAOYSA-N
MW427.50 g/mol
LogP3.40
Rot. Bonds7

About [6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(oxolan-2-yl)methanone

[6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(oxolan-2-yl)methanone (PubChem CID 43948836) has the molecular formula C24H29NO6 and a molecular weight of 427.50 g/mol. Its IUPAC name is [6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(oxolan-2-yl)methanone
PubChem CID43948836
Molecular FormulaC24H29NO6
Molecular Weight427.50 g/mol
Exact Mass427.20
IUPAC Name[6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(oxolan-2-yl)methanone
SMILESCOc1cc2c(cc1OC)C(COc1ccccc1OC)N(C(=O)C1CCCO1)CC2
InChIInChI=1S/C24H29NO6/c1-27-19-7-4-5-8-20(19)31-15-18-17-14-23(29-3)22(28-2)13-16(17)10-11-25(18)24(26)21-9-6-12-30-21/h4-5,7-8,13-14,18,21H,6,9-12,15H2,1-3H3
InChIKeyVMAWVCZPDHIUKL-UHFFFAOYSA-N
XLogP3.40
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-1-[6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one
CID 43948834
[6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(3-methylphenyl)methanone
CID 4302060
(3-bromophenyl)-[6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 4054758
(E)-1-[6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-(furan-2-yl)prop-2-en-1-one
CID 43948842
cyclopropyl-[1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 4244844
[(1S)-6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-naphthalen-2-ylmethanone
CID 41048830
[6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(2-methylphenyl)methanone
CID 5155772
(6-methoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(oxolan-2-yl)methanone
CID 110289151
(1R)-N-benzyl-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide
CID 2152882
ethyl 4-[[(1S)-6,7-dimethoxy-2-(2-methoxybenzoyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate
CID 42126650
(1S)-N-butyl-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide
CID 2152875
1-[(1S)-6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenylethanone
CID 41048816

Frequently Asked Questions

What is the IUPAC name of [6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(oxolan-2-yl)methanone (CID 43948836) is [6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(oxolan-2-yl)methanone is COc1cc2c(cc1OC)C(COc1ccccc1OC)N(C(=O)C1CCCO1)CC2.
What is the InChIKey of [6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(oxolan-2-yl)methanone?
The InChIKey is VMAWVCZPDHIUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO6/c1-27-19-7-4-5-8-20(19)31-15-18-17-14-23(29-3)22(28-2)13-16(17)10-11-25(18)24(26)21-9-6-12-30-21/h4-5,7-8,13-14,18,21H,6,9-12,15H2,1-3H3.
What are the key properties of [6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(oxolan-2-yl)methanone?
[6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(oxolan-2-yl)methanone has a molecular weight of 427.50 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 43948836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).