6,7-dimethoxy-2-[(2-phenyl-7-propoxy-1-benzofuran-4-yl)methyl]-3,4-dihydro-1H-isoquinoline

C29H31NO4 — CID 11396957

IUPAC6,7-dimethoxy-2-[(2-phenyl-7-propoxy-1-benzofuran-4-yl)methyl]-3,4-dihydro-1H-isoquinoline
SMILESCCCOc1ccc(CN2CCc3cc(OC)c(OC)cc3C2)c2cc(-c3ccccc3)oc12
InChIInChI=1S/C29H31NO4/c1-4-14-33-25-11-10-22(24-17-26(34-29(24)25)20-8-6-5-7-9-20)18-30-13-12-21-15-27(31-2)28(32-3)16-23(21)19-30/h5-11,15-17H,4,12-14,18-19H2,1-3H3
InChIKeyILGQPYZSVPWZGM-UHFFFAOYSA-N
MW457.57 g/mol
LogP6.46
Rot. Bonds8

About 6,7-dimethoxy-2-[(2-phenyl-7-propoxy-1-benzofuran-4-yl)methyl]-3,4-dihydro-1H-isoquinoline

6,7-dimethoxy-2-[(2-phenyl-7-propoxy-1-benzofuran-4-yl)methyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 11396957) has the molecular formula C29H31NO4 and a molecular weight of 457.57 g/mol. Its IUPAC name is 6,7-dimethoxy-2-[(2-phenyl-7-propoxy-1-benzofuran-4-yl)methyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-2-[(2-phenyl-7-propoxy-1-benzofuran-4-yl)methyl]-3,4-dihydro-1H-isoquinoline
PubChem CID11396957
Molecular FormulaC29H31NO4
Molecular Weight457.57 g/mol
Exact Mass457.23
IUPAC Name6,7-dimethoxy-2-[(2-phenyl-7-propoxy-1-benzofuran-4-yl)methyl]-3,4-dihydro-1H-isoquinoline
SMILESCCCOc1ccc(CN2CCc3cc(OC)c(OC)cc3C2)c2cc(-c3ccccc3)oc12
InChIInChI=1S/C29H31NO4/c1-4-14-33-25-11-10-22(24-17-26(34-29(24)25)20-8-6-5-7-9-20)18-30-13-12-21-15-27(31-2)28(32-3)16-23(21)19-30/h5-11,15-17H,4,12-14,18-19H2,1-3H3
InChIKeyILGQPYZSVPWZGM-UHFFFAOYSA-N
XLogP6.46
TPSA44.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.57
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6,7-dimethoxy-2-[(2-phenyl-7-propoxy-1-benzofuran-4-yl)methyl]-3,4-dihydro-1H-isoquinoline with MolForge

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Related Compounds

6,7-dimethoxy-2-[(7-methoxy-2-phenyl-1-benzofuran-4-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 16725934
2-[[2-(3-fluorophenyl)-7-methoxy-1-benzofuran-4-yl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 11259407
6,7-dimethoxy-2-[[7-methoxy-2-[4-(trifluoromethyl)phenyl]-1-benzofuran-4-yl]methyl]-3,4-dihydro-1H-isoquinoline
CID 11477503
6,7-dimethoxy-2-[(4-methoxy-2,3-dimethylphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 3710877
6,7-dimethoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 1377084
2-benzyl-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline
CID 25071224
6,7-dimethoxy-2-[(2-methoxy-3-prop-2-ynoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 87947047
1-[[2-(furan-2-yl)-7-methoxy-1-benzofuran-4-yl]methyl]-4-phenylpiperazine
CID 86051368
2-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 1377255
4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-7-methoxychromen-2-one
CID 8760387
6,7-dimethoxy-2-(thiophen-3-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 3772747
2-(anthracen-9-ylmethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 1376491

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-[(2-phenyl-7-propoxy-1-benzofuran-4-yl)methyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6,7-dimethoxy-2-[(2-phenyl-7-propoxy-1-benzofuran-4-yl)methyl]-3,4-dihydro-1H-isoquinoline (CID 11396957) is 6,7-dimethoxy-2-[(2-phenyl-7-propoxy-1-benzofuran-4-yl)methyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6,7-dimethoxy-2-[(2-phenyl-7-propoxy-1-benzofuran-4-yl)methyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6,7-dimethoxy-2-[(2-phenyl-7-propoxy-1-benzofuran-4-yl)methyl]-3,4-dihydro-1H-isoquinoline is CCCOc1ccc(CN2CCc3cc(OC)c(OC)cc3C2)c2cc(-c3ccccc3)oc12.
What is the InChIKey of 6,7-dimethoxy-2-[(2-phenyl-7-propoxy-1-benzofuran-4-yl)methyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is ILGQPYZSVPWZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31NO4/c1-4-14-33-25-11-10-22(24-17-26(34-29(24)25)20-8-6-5-7-9-20)18-30-13-12-21-15-27(31-2)28(32-3)16-23(21)19-30/h5-11,15-17H,4,12-14,18-19H2,1-3H3.
What are the key properties of 6,7-dimethoxy-2-[(2-phenyl-7-propoxy-1-benzofuran-4-yl)methyl]-3,4-dihydro-1H-isoquinoline?
6,7-dimethoxy-2-[(2-phenyl-7-propoxy-1-benzofuran-4-yl)methyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 457.57 g/mol, XLogP of 6.46, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-[(2-phenyl-7-propoxy-1-benzofuran-4-yl)methyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 11396957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).