7,8-dimethoxy-1-(naphthalen-2-ylmethyl)isoquinoline

C22H19NO2 — CID 11995264

IUPAC7,8-dimethoxy-1-(naphthalen-2-ylmethyl)isoquinoline
SMILESCOc1ccc2ccnc(Cc3ccc4ccccc4c3)c2c1OC
InChIInChI=1S/C22H19NO2/c1-24-20-10-9-17-11-12-23-19(21(17)22(20)25-2)14-15-7-8-16-5-3-4-6-18(16)13-15/h3-13H,14H2,1-2H3
InChIKeyDBAKXQVZBARSFC-UHFFFAOYSA-N
MW329.40 g/mol
LogP5.00
Rot. Bonds4

About 7,8-dimethoxy-1-(naphthalen-2-ylmethyl)isoquinoline

7,8-dimethoxy-1-(naphthalen-2-ylmethyl)isoquinoline (PubChem CID 11995264) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 7,8-dimethoxy-1-(naphthalen-2-ylmethyl)isoquinoline.

Molecular Properties

Compound Name7,8-dimethoxy-1-(naphthalen-2-ylmethyl)isoquinoline
PubChem CID11995264
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name7,8-dimethoxy-1-(naphthalen-2-ylmethyl)isoquinoline
SMILESCOc1ccc2ccnc(Cc3ccc4ccccc4c3)c2c1OC
InChIInChI=1S/C22H19NO2/c1-24-20-10-9-17-11-12-23-19(21(17)22(20)25-2)14-15-7-8-16-5-3-4-6-18(16)13-15/h3-13H,14H2,1-2H3
InChIKeyDBAKXQVZBARSFC-UHFFFAOYSA-N
XLogP5.00
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinolin-8-ol
CID 174897371
2-benzyl-3,4-dimethoxypyridine
CID 141149610
7,8-dimethoxy-1-phenylisoquinoline
CID 134913622
1-[(3,5-dimethoxyphenyl)methyl]isoquinoline
CID 13463308
4-(isoquinolin-1-ylmethyl)-2,6-dimethoxyphenol
CID 101394802
2-[(3-fluoro-4-methoxyphenyl)methyl]naphthalene
CID 132602819
1-[(3,4-dimethylphenyl)methyl]-6,7-dimethoxyisoquinoline
CID 153397750
2-methoxy-1,6-bis[(2-methoxynaphthalen-1-yl)methyl]naphthalene
CID 139095345
2-[3-(3,4,5-trimethoxyphenyl)propyl]naphthalene
CID 44609839
9-methoxy-3-azapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(18),2,4,6(20),7,9,11,13,15(19),16-decaene
CID 166001806
2-(naphthalen-2-ylmethyl)naphthalene
CID 14123480
1-naphthalen-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine
CID 775222

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-1-(naphthalen-2-ylmethyl)isoquinoline?
The IUPAC name of 7,8-dimethoxy-1-(naphthalen-2-ylmethyl)isoquinoline (CID 11995264) is 7,8-dimethoxy-1-(naphthalen-2-ylmethyl)isoquinoline.
What is the SMILES notation for 7,8-dimethoxy-1-(naphthalen-2-ylmethyl)isoquinoline?
The canonical SMILES for 7,8-dimethoxy-1-(naphthalen-2-ylmethyl)isoquinoline is COc1ccc2ccnc(Cc3ccc4ccccc4c3)c2c1OC.
What is the InChIKey of 7,8-dimethoxy-1-(naphthalen-2-ylmethyl)isoquinoline?
The InChIKey is DBAKXQVZBARSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2/c1-24-20-10-9-17-11-12-23-19(21(17)22(20)25-2)14-15-7-8-16-5-3-4-6-18(16)13-15/h3-13H,14H2,1-2H3.
What are the key properties of 7,8-dimethoxy-1-(naphthalen-2-ylmethyl)isoquinoline?
7,8-dimethoxy-1-(naphthalen-2-ylmethyl)isoquinoline has a molecular weight of 329.40 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-1-(naphthalen-2-ylmethyl)isoquinoline is sourced from PubChem (CID 11995264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).