2-deuterio-1-methyl-2H-quinoline

C10H11N — CID 175790396

IUPAC2-deuterio-1-methyl-2H-quinoline
SMILES[2H]C1C=Cc2ccccc2N1C
InChIInChI=1S/C10H11N/c1-11-8-4-6-9-5-2-3-7-10(9)11/h2-7H,8H2,1H3/i8D
InChIKeyVORLTHPZWVELIX-BNEYPBHNSA-N
MW146.21 g/mol
LogP2.15
Rot. Bonds

About 2-deuterio-1-methyl-2H-quinoline

2-deuterio-1-methyl-2H-quinoline (PubChem CID 175790396) has the molecular formula C10H11N and a molecular weight of 146.21 g/mol. Its IUPAC name is 2-deuterio-1-methyl-2H-quinoline.

Molecular Properties

Compound Name2-deuterio-1-methyl-2H-quinoline
PubChem CID175790396
Molecular FormulaC10H11N
Molecular Weight146.21 g/mol
Exact Mass146.10
IUPAC Name2-deuterio-1-methyl-2H-quinoline
SMILES[2H]C1C=Cc2ccccc2N1C
InChIInChI=1S/C10H11N/c1-11-8-4-6-9-5-2-3-7-10(9)11/h2-7H,8H2,1H3/i8D
InChIKeyVORLTHPZWVELIX-BNEYPBHNSA-N
XLogP2.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-deuterio-1-methyl-2H-quinoline?
The IUPAC name of 2-deuterio-1-methyl-2H-quinoline (CID 175790396) is 2-deuterio-1-methyl-2H-quinoline.
What is the SMILES notation for 2-deuterio-1-methyl-2H-quinoline?
The canonical SMILES for 2-deuterio-1-methyl-2H-quinoline is [2H]C1C=Cc2ccccc2N1C.
What is the InChIKey of 2-deuterio-1-methyl-2H-quinoline?
The InChIKey is VORLTHPZWVELIX-BNEYPBHNSA-N. The full InChI is InChI=1S/C10H11N/c1-11-8-4-6-9-5-2-3-7-10(9)11/h2-7H,8H2,1H3/i8D.
What are the key properties of 2-deuterio-1-methyl-2H-quinoline?
2-deuterio-1-methyl-2H-quinoline has a molecular weight of 146.21 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-1-methyl-2H-quinoline is sourced from PubChem (CID 175790396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).