1-(2-methoxynaphthalen-1-yl)-3-pyridin-2-ylisoquinoline

C25H18N2O — CID 10522661

IUPAC1-(2-methoxynaphthalen-1-yl)-3-pyridin-2-ylisoquinoline
SMILESCOc1ccc2ccccc2c1-c1nc(-c2ccccn2)cc2ccccc12
InChIInChI=1S/C25H18N2O/c1-28-23-14-13-17-8-2-4-10-19(17)24(23)25-20-11-5-3-9-18(20)16-22(27-25)21-12-6-7-15-26-21/h2-16H,1H3
InChIKeyYPAVSIZWZXULNS-UHFFFAOYSA-N
MW362.43 g/mol
LogP6.13
Rot. Bonds3

About 1-(2-methoxynaphthalen-1-yl)-3-pyridin-2-ylisoquinoline

1-(2-methoxynaphthalen-1-yl)-3-pyridin-2-ylisoquinoline (PubChem CID 10522661) has the molecular formula C25H18N2O and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-(2-methoxynaphthalen-1-yl)-3-pyridin-2-ylisoquinoline.

Molecular Properties

Compound Name1-(2-methoxynaphthalen-1-yl)-3-pyridin-2-ylisoquinoline
PubChem CID10522661
Molecular FormulaC25H18N2O
Molecular Weight362.43 g/mol
Exact Mass362.14
IUPAC Name1-(2-methoxynaphthalen-1-yl)-3-pyridin-2-ylisoquinoline
SMILESCOc1ccc2ccccc2c1-c1nc(-c2ccccn2)cc2ccccc12
InChIInChI=1S/C25H18N2O/c1-28-23-14-13-17-8-2-4-10-19(17)24(23)25-20-11-5-3-9-18(20)16-22(27-25)21-12-6-7-15-26-21/h2-16H,1H3
InChIKeyYPAVSIZWZXULNS-UHFFFAOYSA-N
XLogP6.13
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.43
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxynaphthalen-1-yl)-3-pyridin-2-ylisoquinoline?
The IUPAC name of 1-(2-methoxynaphthalen-1-yl)-3-pyridin-2-ylisoquinoline (CID 10522661) is 1-(2-methoxynaphthalen-1-yl)-3-pyridin-2-ylisoquinoline.
What is the SMILES notation for 1-(2-methoxynaphthalen-1-yl)-3-pyridin-2-ylisoquinoline?
The canonical SMILES for 1-(2-methoxynaphthalen-1-yl)-3-pyridin-2-ylisoquinoline is COc1ccc2ccccc2c1-c1nc(-c2ccccn2)cc2ccccc12.
What is the InChIKey of 1-(2-methoxynaphthalen-1-yl)-3-pyridin-2-ylisoquinoline?
The InChIKey is YPAVSIZWZXULNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O/c1-28-23-14-13-17-8-2-4-10-19(17)24(23)25-20-11-5-3-9-18(20)16-22(27-25)21-12-6-7-15-26-21/h2-16H,1H3.
What are the key properties of 1-(2-methoxynaphthalen-1-yl)-3-pyridin-2-ylisoquinoline?
1-(2-methoxynaphthalen-1-yl)-3-pyridin-2-ylisoquinoline has a molecular weight of 362.43 g/mol, XLogP of 6.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxynaphthalen-1-yl)-3-pyridin-2-ylisoquinoline is sourced from PubChem (CID 10522661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).