1-(2-methoxyphenyl)-3-naphthalen-2-ylisoquinoline

C26H19NO — CID 134913734

IUPAC1-(2-methoxyphenyl)-3-naphthalen-2-ylisoquinoline
SMILESCOc1ccccc1-c1nc(-c2ccc3ccccc3c2)cc2ccccc12
InChIInChI=1S/C26H19NO/c1-28-25-13-7-6-12-23(25)26-22-11-5-4-10-20(22)17-24(27-26)21-15-14-18-8-2-3-9-19(18)16-21/h2-17H,1H3
InChIKeyYSJFSKYHJGOREX-UHFFFAOYSA-N
MW361.44 g/mol
LogP6.73
Rot. Bonds3

About 1-(2-methoxyphenyl)-3-naphthalen-2-ylisoquinoline

1-(2-methoxyphenyl)-3-naphthalen-2-ylisoquinoline (PubChem CID 134913734) has the molecular formula C26H19NO and a molecular weight of 361.44 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-naphthalen-2-ylisoquinoline.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-naphthalen-2-ylisoquinoline
PubChem CID134913734
Molecular FormulaC26H19NO
Molecular Weight361.44 g/mol
Exact Mass361.15
IUPAC Name1-(2-methoxyphenyl)-3-naphthalen-2-ylisoquinoline
SMILESCOc1ccccc1-c1nc(-c2ccc3ccccc3c2)cc2ccccc12
InChIInChI=1S/C26H19NO/c1-28-25-13-7-6-12-23(25)26-22-11-5-4-10-20(22)17-24(27-26)21-15-14-18-8-2-3-9-19(18)16-21/h2-17H,1H3
InChIKeyYSJFSKYHJGOREX-UHFFFAOYSA-N
XLogP6.73
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.44
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methoxy-2-Phenylquinoline
CID 826247
9-Methoxyacridine
CID 99383
Quinoxaline, 2,3-bis(2-methoxyphenyl)-
CID 774402
7-(3-Methoxyphenyl)-2-methylquinoline
CID 44432660
3-Methoxy-5-(2-methylquinolin-7-yl)benzonitrile
CID 44432680
4-[1-(4-Methoxyphenyl)ethenyl]-2-methylquinoline
CID 91971313
3-(2-Methoxyphenyl)-2-phenylbenzo[g]quinoxaline
CID 1983598
4-Methoxy-2-pentylquinoline
CID 3009247
2-(4-Methoxyphenyl)-4,6-diphenylpyridine
CID 1719430
4-(6-Methoxy-3-methylnaphthalen-2-yl)isoquinoline
CID 25034427
3-(3-Benzyl-6-methoxynaphthalen-2-yl)pyridine
CID 25129117
3-[3-(4-Methoxybenzyl)naphthalen-2-yl]pyridine
CID 25130848

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-naphthalen-2-ylisoquinoline?
The IUPAC name of 1-(2-methoxyphenyl)-3-naphthalen-2-ylisoquinoline (CID 134913734) is 1-(2-methoxyphenyl)-3-naphthalen-2-ylisoquinoline.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-naphthalen-2-ylisoquinoline?
The canonical SMILES for 1-(2-methoxyphenyl)-3-naphthalen-2-ylisoquinoline is COc1ccccc1-c1nc(-c2ccc3ccccc3c2)cc2ccccc12.
What is the InChIKey of 1-(2-methoxyphenyl)-3-naphthalen-2-ylisoquinoline?
The InChIKey is YSJFSKYHJGOREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19NO/c1-28-25-13-7-6-12-23(25)26-22-11-5-4-10-20(22)17-24(27-26)21-15-14-18-8-2-3-9-19(18)16-21/h2-17H,1H3.
What are the key properties of 1-(2-methoxyphenyl)-3-naphthalen-2-ylisoquinoline?
1-(2-methoxyphenyl)-3-naphthalen-2-ylisoquinoline has a molecular weight of 361.44 g/mol, XLogP of 6.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-naphthalen-2-ylisoquinoline is sourced from PubChem (CID 134913734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).