1-(4-methoxy-2-pyridinyl)-3,4-dihydroisoquinoline

C15H14N2O — CID 54014187

IUPAC1-(4-methoxy-2-pyridinyl)-3,4-dihydroisoquinoline
SMILESCOc1ccnc(C2=NCCc3ccccc32)c1
InChIInChI=1S/C15H14N2O/c1-18-12-7-9-16-14(10-12)15-13-5-3-2-4-11(13)6-8-17-15/h2-5,7,9-10H,6,8H2,1H3
InChIKeyKUMCPOPASWUOCK-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.48
Rot. Bonds2

About 1-(4-methoxy-2-pyridinyl)-3,4-dihydroisoquinoline

1-(4-methoxy-2-pyridinyl)-3,4-dihydroisoquinoline (PubChem CID 54014187) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(4-methoxy-2-pyridinyl)-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name1-(4-methoxy-2-pyridinyl)-3,4-dihydroisoquinoline
PubChem CID54014187
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name1-(4-methoxy-2-pyridinyl)-3,4-dihydroisoquinoline
SMILESCOc1ccnc(C2=NCCc3ccccc32)c1
InChIInChI=1S/C15H14N2O/c1-18-12-7-9-16-14(10-12)15-13-5-3-2-4-11(13)6-8-17-15/h2-5,7,9-10H,6,8H2,1H3
InChIKeyKUMCPOPASWUOCK-UHFFFAOYSA-N
XLogP2.48
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-pyridinyl)-3,4-dihydroisoquinoline?
The IUPAC name of 1-(4-methoxy-2-pyridinyl)-3,4-dihydroisoquinoline (CID 54014187) is 1-(4-methoxy-2-pyridinyl)-3,4-dihydroisoquinoline.
What is the SMILES notation for 1-(4-methoxy-2-pyridinyl)-3,4-dihydroisoquinoline?
The canonical SMILES for 1-(4-methoxy-2-pyridinyl)-3,4-dihydroisoquinoline is COc1ccnc(C2=NCCc3ccccc32)c1.
What is the InChIKey of 1-(4-methoxy-2-pyridinyl)-3,4-dihydroisoquinoline?
The InChIKey is KUMCPOPASWUOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-18-12-7-9-16-14(10-12)15-13-5-3-2-4-11(13)6-8-17-15/h2-5,7,9-10H,6,8H2,1H3.
What are the key properties of 1-(4-methoxy-2-pyridinyl)-3,4-dihydroisoquinoline?
1-(4-methoxy-2-pyridinyl)-3,4-dihydroisoquinoline has a molecular weight of 238.29 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-pyridinyl)-3,4-dihydroisoquinoline is sourced from PubChem (CID 54014187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).