4-(dibenzofuran-2-ylmethyl)-6,7-dimethoxy-1-methylisoquinoline;hydrochloride

C25H22ClNO3 — CID 74539561

IUPAC4-(dibenzofuran-2-ylmethyl)-6,7-dimethoxy-1-methylisoquinoline;hydrochloride
SMILESCOc1cc2c(Cc3ccc4oc5ccccc5c4c3)cnc(C)c2cc1OC.Cl
InChIInChI=1S/C25H21NO3.ClH/c1-15-19-12-24(27-2)25(28-3)13-20(19)17(14-26-15)10-16-8-9-23-21(11-16)18-6-4-5-7-22(18)29-23;/h4-9,11-14H,10H2,1-3H3;1H
InChIKeyWVYJPUAJBKKDGG-UHFFFAOYSA-N
MW419.91 g/mol
LogP6.47
Rot. Bonds4

About 4-(dibenzofuran-2-ylmethyl)-6,7-dimethoxy-1-methylisoquinoline;hydrochloride

4-(dibenzofuran-2-ylmethyl)-6,7-dimethoxy-1-methylisoquinoline;hydrochloride (PubChem CID 74539561) has the molecular formula C25H22ClNO3 and a molecular weight of 419.91 g/mol. Its IUPAC name is 4-(dibenzofuran-2-ylmethyl)-6,7-dimethoxy-1-methylisoquinoline;hydrochloride.

Molecular Properties

Compound Name4-(dibenzofuran-2-ylmethyl)-6,7-dimethoxy-1-methylisoquinoline;hydrochloride
PubChem CID74539561
Molecular FormulaC25H22ClNO3
Molecular Weight419.91 g/mol
Exact Mass419.13
IUPAC Name4-(dibenzofuran-2-ylmethyl)-6,7-dimethoxy-1-methylisoquinoline;hydrochloride
SMILESCOc1cc2c(Cc3ccc4oc5ccccc5c4c3)cnc(C)c2cc1OC.Cl
InChIInChI=1S/C25H21NO3.ClH/c1-15-19-12-24(27-2)25(28-3)13-20(19)17(14-26-15)10-16-8-9-23-21(11-16)18-6-4-5-7-22(18)29-23;/h4-9,11-14H,10H2,1-3H3;1H
InChIKeyWVYJPUAJBKKDGG-UHFFFAOYSA-N
XLogP6.47
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.91
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,3-dichlorophenyl)methyl]dibenzofuran
CID 167572111
2-[(6,7-dimethoxy-1-methylisoquinolin-4-yl)methyl]quinolin-8-ol
CID 90117756
6,7-dimethoxy-1-methyl-4-phenylisoquinoline;hydrochloride
CID 3029075
2-methoxydibenzofuran-3-diazonium chloride
CID 87576667
2-[(2-methoxydibenzofuran-3-yl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 31693977
2-(2-methylpropyl)dibenzofuran
CID 59877560
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methoxydibenzofuran-3-amine
CID 78822745
2-[(2,3,4,5,6-pentadeuteriophenyl)methyl]dibenzofuran
CID 159538569
(2-methoxydibenzofuran-3-yl)-pyridin-4-ylmethanamine
CID 21156604
2-dibenzofuran-2-ylethanol
CID 567048
10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene;ethane
CID 154692122
methyl 2-[4-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethoxy]phenyl]acetate
CID 7695279

Frequently Asked Questions

What is the IUPAC name of 4-(dibenzofuran-2-ylmethyl)-6,7-dimethoxy-1-methylisoquinoline;hydrochloride?
The IUPAC name of 4-(dibenzofuran-2-ylmethyl)-6,7-dimethoxy-1-methylisoquinoline;hydrochloride (CID 74539561) is 4-(dibenzofuran-2-ylmethyl)-6,7-dimethoxy-1-methylisoquinoline;hydrochloride.
What is the SMILES notation for 4-(dibenzofuran-2-ylmethyl)-6,7-dimethoxy-1-methylisoquinoline;hydrochloride?
The canonical SMILES for 4-(dibenzofuran-2-ylmethyl)-6,7-dimethoxy-1-methylisoquinoline;hydrochloride is COc1cc2c(Cc3ccc4oc5ccccc5c4c3)cnc(C)c2cc1OC.Cl.
What is the InChIKey of 4-(dibenzofuran-2-ylmethyl)-6,7-dimethoxy-1-methylisoquinoline;hydrochloride?
The InChIKey is WVYJPUAJBKKDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO3.ClH/c1-15-19-12-24(27-2)25(28-3)13-20(19)17(14-26-15)10-16-8-9-23-21(11-16)18-6-4-5-7-22(18)29-23;/h4-9,11-14H,10H2,1-3H3;1H.
What are the key properties of 4-(dibenzofuran-2-ylmethyl)-6,7-dimethoxy-1-methylisoquinoline;hydrochloride?
4-(dibenzofuran-2-ylmethyl)-6,7-dimethoxy-1-methylisoquinoline;hydrochloride has a molecular weight of 419.91 g/mol, XLogP of 6.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dibenzofuran-2-ylmethyl)-6,7-dimethoxy-1-methylisoquinoline;hydrochloride is sourced from PubChem (CID 74539561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).