2-[2,5-bis(methoxymethoxy)phenyl]-3,4-dihydro-1H-isoquinoline

C19H23NO4 — CID 121260818

IUPAC2-[2,5-bis(methoxymethoxy)phenyl]-3,4-dihydro-1H-isoquinoline
SMILESCOCOc1ccc(OCOC)c(N2CCc3ccccc3C2)c1
InChIInChI=1S/C19H23NO4/c1-21-13-23-17-7-8-19(24-14-22-2)18(11-17)20-10-9-15-5-3-4-6-16(15)12-20/h3-8,11H,9-10,12-14H2,1-2H3
InChIKeyIMSLLNSXVIPZQH-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.21
Rot. Bonds7

About 2-[2,5-bis(methoxymethoxy)phenyl]-3,4-dihydro-1H-isoquinoline

2-[2,5-bis(methoxymethoxy)phenyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 121260818) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[2,5-bis(methoxymethoxy)phenyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[2,5-bis(methoxymethoxy)phenyl]-3,4-dihydro-1H-isoquinoline
PubChem CID121260818
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name2-[2,5-bis(methoxymethoxy)phenyl]-3,4-dihydro-1H-isoquinoline
SMILESCOCOc1ccc(OCOC)c(N2CCc3ccccc3C2)c1
InChIInChI=1S/C19H23NO4/c1-21-13-23-17-7-8-19(24-14-22-2)18(11-17)20-10-9-15-5-3-4-6-16(15)12-20/h3-8,11H,9-10,12-14H2,1-2H3
InChIKeyIMSLLNSXVIPZQH-UHFFFAOYSA-N
XLogP3.21
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4,5-difluorophenyl] hypofluorite
CID 145405939
2-(2-methylphenyl)-3,4-dihydro-1H-isoquinoline
CID 141294642
6-methoxy-2-pyrimidin-2-yl-3,4-dihydro-1H-isoquinoline
CID 151735718
2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112861158
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazoline
CID 21002947
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,5-dimethoxyphenyl)pyrimidin-4-amine
CID 112894394
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine
CID 112861185
2-[2-(difluoromethylsulfonyl)phenyl]-7-ethoxy-3,4-dihydro-1H-isoquinoline
CID 133304233
2-[(2,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 791234
6-methoxy-2-(4-methoxy-2-methylphenyl)-3,4-dihydro-1H-isoquinoline
CID 69472084
2-phenyl-3,4-dihydro-1H-isoquinoline
CID 11321753
1,4-bis(methoxymethoxy)benzene
CID 542643

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-bis(methoxymethoxy)phenyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-[2,5-bis(methoxymethoxy)phenyl]-3,4-dihydro-1H-isoquinoline (CID 121260818) is 2-[2,5-bis(methoxymethoxy)phenyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[2,5-bis(methoxymethoxy)phenyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[2,5-bis(methoxymethoxy)phenyl]-3,4-dihydro-1H-isoquinoline is COCOc1ccc(OCOC)c(N2CCc3ccccc3C2)c1.
What is the InChIKey of 2-[2,5-bis(methoxymethoxy)phenyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is IMSLLNSXVIPZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-21-13-23-17-7-8-19(24-14-22-2)18(11-17)20-10-9-15-5-3-4-6-16(15)12-20/h3-8,11H,9-10,12-14H2,1-2H3.
What are the key properties of 2-[2,5-bis(methoxymethoxy)phenyl]-3,4-dihydro-1H-isoquinoline?
2-[2,5-bis(methoxymethoxy)phenyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 329.40 g/mol, XLogP of 3.21, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-bis(methoxymethoxy)phenyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 121260818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).