6-methoxy-2-[[2-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]quinoline

C27H26N2O — CID 132545338

IUPAC6-methoxy-2-[[2-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]quinoline
SMILESCOc1ccc2nc(CC3c4ccccc4CCN3c3ccc(C)cc3)ccc2c1
InChIInChI=1S/C27H26N2O/c1-19-7-11-23(12-8-19)29-16-15-20-5-3-4-6-25(20)27(29)18-22-10-9-21-17-24(30-2)13-14-26(21)28-22/h3-14,17,27H,15-16,18H2,1-2H3
InChIKeyZGOXETGYZKKPFZ-UHFFFAOYSA-N
MW394.52 g/mol
LogP5.90
Rot. Bonds4

About 6-methoxy-2-[[2-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]quinoline

6-methoxy-2-[[2-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]quinoline (PubChem CID 132545338) has the molecular formula C27H26N2O and a molecular weight of 394.52 g/mol. Its IUPAC name is 6-methoxy-2-[[2-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]quinoline.

Molecular Properties

Compound Name6-methoxy-2-[[2-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]quinoline
PubChem CID132545338
Molecular FormulaC27H26N2O
Molecular Weight394.52 g/mol
Exact Mass394.20
IUPAC Name6-methoxy-2-[[2-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]quinoline
SMILESCOc1ccc2nc(CC3c4ccccc4CCN3c3ccc(C)cc3)ccc2c1
InChIInChI=1S/C27H26N2O/c1-19-7-11-23(12-8-19)29-16-15-20-5-3-4-6-25(20)27(29)18-22-10-9-21-17-24(30-2)13-14-26(21)28-22/h3-14,17,27H,15-16,18H2,1-2H3
InChIKeyZGOXETGYZKKPFZ-UHFFFAOYSA-N
XLogP5.90
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylphenyl)-1-prop-2-enyl-3,4-dihydro-1H-isoquinoline
CID 134951940
4-methoxy-2-[[(1R)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]aniline
CID 1238859
2-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-1-carbaldehyde
CID 174775577
(6-methoxyquinolin-2-yl)methanamine;dihydrochloride
CID 47002728
2-(3-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethynyl]-3,4-dihydro-1H-isoquinoline
CID 175531941
1-[(4-methoxyphenyl)methyl]-2-propyl-3,4-dihydro-1H-isoquinoline
CID 71396455
1-(4-tert-butylphenyl)-2-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline
CID 102390709
2,3-dihydroindol-1-yl-(6-methoxyquinolin-2-yl)methanone
CID 33314487
2-[(1R)-2-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-1-yl]prop-2-enenitrile
CID 102289180
(1R)-6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline
CID 163017135
1-[2-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-1-yl]hexan-2-one
CID 71567840
1-(2-chlorophenyl)-6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinoline
CID 3024613

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[[2-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]quinoline?
The IUPAC name of 6-methoxy-2-[[2-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]quinoline (CID 132545338) is 6-methoxy-2-[[2-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]quinoline.
What is the SMILES notation for 6-methoxy-2-[[2-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]quinoline?
The canonical SMILES for 6-methoxy-2-[[2-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]quinoline is COc1ccc2nc(CC3c4ccccc4CCN3c3ccc(C)cc3)ccc2c1.
What is the InChIKey of 6-methoxy-2-[[2-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]quinoline?
The InChIKey is ZGOXETGYZKKPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O/c1-19-7-11-23(12-8-19)29-16-15-20-5-3-4-6-25(20)27(29)18-22-10-9-21-17-24(30-2)13-14-26(21)28-22/h3-14,17,27H,15-16,18H2,1-2H3.
What are the key properties of 6-methoxy-2-[[2-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]quinoline?
6-methoxy-2-[[2-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]quinoline has a molecular weight of 394.52 g/mol, XLogP of 5.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[[2-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]quinoline is sourced from PubChem (CID 132545338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).