2-(1-deuterio-1-phenylpropyl)quinoline

C18H17N — CID 175702905

IUPAC2-(1-deuterio-1-phenylpropyl)quinoline
SMILES[2H]C(CC)(c1ccccc1)c1ccc2ccccc2n1
InChIInChI=1S/C18H17N/c1-2-16(14-8-4-3-5-9-14)18-13-12-15-10-6-7-11-17(15)19-18/h3-13,16H,2H2,1H3/i16D
InChIKeyPUIZYPCNSDOBTA-QNLPYAOMSA-N
MW248.35 g/mol
LogP4.78
Rot. Bonds3

About 2-(1-deuterio-1-phenylpropyl)quinoline

2-(1-deuterio-1-phenylpropyl)quinoline (PubChem CID 175702905) has the molecular formula C18H17N and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-(1-deuterio-1-phenylpropyl)quinoline.

Molecular Properties

Compound Name2-(1-deuterio-1-phenylpropyl)quinoline
PubChem CID175702905
Molecular FormulaC18H17N
Molecular Weight248.35 g/mol
Exact Mass248.14
IUPAC Name2-(1-deuterio-1-phenylpropyl)quinoline
SMILES[2H]C(CC)(c1ccccc1)c1ccc2ccccc2n1
InChIInChI=1S/C18H17N/c1-2-16(14-8-4-3-5-9-14)18-13-12-15-10-6-7-11-17(15)19-18/h3-13,16H,2H2,1H3/i16D
InChIKeyPUIZYPCNSDOBTA-QNLPYAOMSA-N
XLogP4.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-deuterio-1-phenylpropyl)quinoline?
The IUPAC name of 2-(1-deuterio-1-phenylpropyl)quinoline (CID 175702905) is 2-(1-deuterio-1-phenylpropyl)quinoline.
What is the SMILES notation for 2-(1-deuterio-1-phenylpropyl)quinoline?
The canonical SMILES for 2-(1-deuterio-1-phenylpropyl)quinoline is [2H]C(CC)(c1ccccc1)c1ccc2ccccc2n1.
What is the InChIKey of 2-(1-deuterio-1-phenylpropyl)quinoline?
The InChIKey is PUIZYPCNSDOBTA-QNLPYAOMSA-N. The full InChI is InChI=1S/C18H17N/c1-2-16(14-8-4-3-5-9-14)18-13-12-15-10-6-7-11-17(15)19-18/h3-13,16H,2H2,1H3/i16D.
What are the key properties of 2-(1-deuterio-1-phenylpropyl)quinoline?
2-(1-deuterio-1-phenylpropyl)quinoline has a molecular weight of 248.35 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-deuterio-1-phenylpropyl)quinoline is sourced from PubChem (CID 175702905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).