6-(3-methoxypropoxy)-7-phenylmethoxy-3-propan-2-yl-3,4-dihydroisoquinoline

C23H29NO3 — CID 138672844

IUPAC6-(3-methoxypropoxy)-7-phenylmethoxy-3-propan-2-yl-3,4-dihydroisoquinoline
SMILESCOCCCOc1cc2c(cc1OCc1ccccc1)C=NC(C(C)C)C2
InChIInChI=1S/C23H29NO3/c1-17(2)21-12-19-13-22(26-11-7-10-25-3)23(14-20(19)15-24-21)27-16-18-8-5-4-6-9-18/h4-6,8-9,13-15,17,21H,7,10-12,16H2,1-3H3
InChIKeyGTGGNWANAXJURR-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.68
Rot. Bonds9

About 6-(3-methoxypropoxy)-7-phenylmethoxy-3-propan-2-yl-3,4-dihydroisoquinoline

6-(3-methoxypropoxy)-7-phenylmethoxy-3-propan-2-yl-3,4-dihydroisoquinoline (PubChem CID 138672844) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is 6-(3-methoxypropoxy)-7-phenylmethoxy-3-propan-2-yl-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name6-(3-methoxypropoxy)-7-phenylmethoxy-3-propan-2-yl-3,4-dihydroisoquinoline
PubChem CID138672844
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name6-(3-methoxypropoxy)-7-phenylmethoxy-3-propan-2-yl-3,4-dihydroisoquinoline
SMILESCOCCCOc1cc2c(cc1OCc1ccccc1)C=NC(C(C)C)C2
InChIInChI=1S/C23H29NO3/c1-17(2)21-12-19-13-22(26-11-7-10-25-3)23(14-20(19)15-24-21)27-16-18-8-5-4-6-9-18/h4-6,8-9,13-15,17,21H,7,10-12,16H2,1-3H3
InChIKeyGTGGNWANAXJURR-UHFFFAOYSA-N
XLogP4.68
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-tert-butyl-7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline
CID 125474210
9-(3-methoxypropoxy)-2-oxo-10-phenylmethoxy-6-propan-2-yl-1,6,7,11b-tetrahydrobenzo[a]quinolizine-3-carboxylic acid
CID 175126119
1-bromo-4-(3-methoxypropoxy)-2-methyl-5-phenylmethoxybenzene
CID 135296706
1-(3-methoxypropoxy)-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene
CID 90350663
N-[[3-(3-methoxypropoxy)-4-phenylmethoxyphenyl]methyl]cyclopropanamine
CID 59494923
1-(3-methoxypropoxy)-4-[(E)-2-nitroethenyl]-2-phenylmethoxybenzene
CID 86730354
7-methoxy-3',3'-dimethyl-6-phenylmethoxyspiro[4H-isoquinoline-3,1'-cyclobutane]
CID 135313499
5-methoxy-4-(3-methoxypropoxy)-2-phenylmethoxybenzoyl chloride
CID 146330375
3-(3-methoxypropoxy)-4-phenylmethoxy-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide
CID 59224193
6-methoxy-7-phenylmethoxy-2-propan-2-yl-2,3-dihydrochromen-4-one
CID 156760249
4,9,14,19,24-pentaoctoxy-26,28,30,32,34-pentakis(phenylmethoxy)hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3,5,8,10,13,15,18,20,23,26,28,30,32,34-pentadecaene
CID 139095510
1-(3-methoxypropoxy)-3-methyl-5-phenylmethoxybenzene
CID 59224132

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxypropoxy)-7-phenylmethoxy-3-propan-2-yl-3,4-dihydroisoquinoline?
The IUPAC name of 6-(3-methoxypropoxy)-7-phenylmethoxy-3-propan-2-yl-3,4-dihydroisoquinoline (CID 138672844) is 6-(3-methoxypropoxy)-7-phenylmethoxy-3-propan-2-yl-3,4-dihydroisoquinoline.
What is the SMILES notation for 6-(3-methoxypropoxy)-7-phenylmethoxy-3-propan-2-yl-3,4-dihydroisoquinoline?
The canonical SMILES for 6-(3-methoxypropoxy)-7-phenylmethoxy-3-propan-2-yl-3,4-dihydroisoquinoline is COCCCOc1cc2c(cc1OCc1ccccc1)C=NC(C(C)C)C2.
What is the InChIKey of 6-(3-methoxypropoxy)-7-phenylmethoxy-3-propan-2-yl-3,4-dihydroisoquinoline?
The InChIKey is GTGGNWANAXJURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-17(2)21-12-19-13-22(26-11-7-10-25-3)23(14-20(19)15-24-21)27-16-18-8-5-4-6-9-18/h4-6,8-9,13-15,17,21H,7,10-12,16H2,1-3H3.
What are the key properties of 6-(3-methoxypropoxy)-7-phenylmethoxy-3-propan-2-yl-3,4-dihydroisoquinoline?
6-(3-methoxypropoxy)-7-phenylmethoxy-3-propan-2-yl-3,4-dihydroisoquinoline has a molecular weight of 367.49 g/mol, XLogP of 4.68, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxypropoxy)-7-phenylmethoxy-3-propan-2-yl-3,4-dihydroisoquinoline is sourced from PubChem (CID 138672844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).