1-[(5-ethyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydroisoquinoline

C17H20N2 — CID 79748375

IUPAC1-[(5-ethyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCCc1ccc(CC2NCCc3ccccc32)nc1
InChIInChI=1S/C17H20N2/c1-2-13-7-8-15(19-12-13)11-17-16-6-4-3-5-14(16)9-10-18-17/h3-8,12,17-18H,2,9-11H2,1H3
InChIKeyDQRYULHWMNBRIL-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.07
Rot. Bonds3

About 1-[(5-ethyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydroisoquinoline

1-[(5-ethyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 79748375) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[(5-ethyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-[(5-ethyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID79748375
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name1-[(5-ethyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCCc1ccc(CC2NCCc3ccccc32)nc1
InChIInChI=1S/C17H20N2/c1-2-13-7-8-15(19-12-13)11-17-16-6-4-3-5-14(16)9-10-18-17/h3-8,12,17-18H,2,9-11H2,1H3
InChIKeyDQRYULHWMNBRIL-UHFFFAOYSA-N
XLogP3.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-[(5-ethyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydroisoquinoline (CID 79748375) is 1-[(5-ethyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-[(5-ethyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-[(5-ethyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydroisoquinoline is CCc1ccc(CC2NCCc3ccccc32)nc1.
What is the InChIKey of 1-[(5-ethyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is DQRYULHWMNBRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-2-13-7-8-15(19-12-13)11-17-16-6-4-3-5-14(16)9-10-18-17/h3-8,12,17-18H,2,9-11H2,1H3.
What are the key properties of 1-[(5-ethyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydroisoquinoline?
1-[(5-ethyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 252.36 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 79748375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).