2-(4-methyl-2-pyridinyl)-3,4-dihydro-1H-isoquinoline

C15H16N2 — CID 22605919

IUPAC2-(4-methyl-2-pyridinyl)-3,4-dihydro-1H-isoquinoline
SMILESCc1ccnc(N2CCc3ccccc3C2)c1
InChIInChI=1S/C15H16N2/c1-12-6-8-16-15(10-12)17-9-7-13-4-2-3-5-14(13)11-17/h2-6,8,10H,7,9,11H2,1H3
InChIKeyYYRFNNUNFMRYPC-UHFFFAOYSA-N
MW224.31 g/mol
LogP2.95
Rot. Bonds1

About 2-(4-methyl-2-pyridinyl)-3,4-dihydro-1H-isoquinoline

2-(4-methyl-2-pyridinyl)-3,4-dihydro-1H-isoquinoline (PubChem CID 22605919) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-(4-methyl-2-pyridinyl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(4-methyl-2-pyridinyl)-3,4-dihydro-1H-isoquinoline
PubChem CID22605919
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC Name2-(4-methyl-2-pyridinyl)-3,4-dihydro-1H-isoquinoline
SMILESCc1ccnc(N2CCc3ccccc3C2)c1
InChIInChI=1S/C15H16N2/c1-12-6-8-16-15(10-12)17-9-7-13-4-2-3-5-14(13)11-17/h2-6,8,10H,7,9,11H2,1H3
InChIKeyYYRFNNUNFMRYPC-UHFFFAOYSA-N
XLogP2.95
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-pyridinyl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(4-methyl-2-pyridinyl)-3,4-dihydro-1H-isoquinoline (CID 22605919) is 2-(4-methyl-2-pyridinyl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(4-methyl-2-pyridinyl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(4-methyl-2-pyridinyl)-3,4-dihydro-1H-isoquinoline is Cc1ccnc(N2CCc3ccccc3C2)c1.
What is the InChIKey of 2-(4-methyl-2-pyridinyl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is YYRFNNUNFMRYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2/c1-12-6-8-16-15(10-12)17-9-7-13-4-2-3-5-14(13)11-17/h2-6,8,10H,7,9,11H2,1H3.
What are the key properties of 2-(4-methyl-2-pyridinyl)-3,4-dihydro-1H-isoquinoline?
2-(4-methyl-2-pyridinyl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 224.31 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-pyridinyl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 22605919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).