4,4-dideuterio-3H-quinoline

C9H9N — CID 175978097

IUPAC4,4-dideuterio-3H-quinoline
SMILES[2H]C1([2H])CC=Nc2ccccc21
InChIInChI=1S/C9H9N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-2,4,6-7H,3,5H2/i5D2
InChIKeyDNNVRTZJRKIUFK-BFWBPSQCSA-N
MW133.19 g/mol
LogP2.34
Rot. Bonds

About 4,4-dideuterio-3H-quinoline

4,4-dideuterio-3H-quinoline (PubChem CID 175978097) has the molecular formula C9H9N and a molecular weight of 133.19 g/mol. Its IUPAC name is 4,4-dideuterio-3H-quinoline.

Molecular Properties

Compound Name4,4-dideuterio-3H-quinoline
PubChem CID175978097
Molecular FormulaC9H9N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name4,4-dideuterio-3H-quinoline
SMILES[2H]C1([2H])CC=Nc2ccccc21
InChIInChI=1S/C9H9N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-2,4,6-7H,3,5H2/i5D2
InChIKeyDNNVRTZJRKIUFK-BFWBPSQCSA-N
XLogP2.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-dihydro-1-benzazocin-5-ol
CID 131878649
(5E)-5-propan-2-yl-3,4-dihydro-1-benzazocine
CID 169061691
3,3-dipropyl-4H-quinoline
CID 57293485
10,10-dideuterio-9H-phenanthrene
CID 175927057
4,7-dihydro-1H-indole;3H-indole
CID 165098616
11H-benzo[c][1]benzazepine;hydrochloride
CID 67058686
4H-3λ4,1-benzothiazine 3-oxide
CID 158234889
2-fluoro-3H-indole
CID 174790270
CID 20813056
CID 20813056
3H-indazole;methane
CID 161379696
benzene;bis(2,3-dihydro-1H-indene);1H-indene;3H-indole
CID 160566551
3H-indole-2-carbonitrile
CID 66725406

Frequently Asked Questions

What is the IUPAC name of 4,4-dideuterio-3H-quinoline?
The IUPAC name of 4,4-dideuterio-3H-quinoline (CID 175978097) is 4,4-dideuterio-3H-quinoline.
What is the SMILES notation for 4,4-dideuterio-3H-quinoline?
The canonical SMILES for 4,4-dideuterio-3H-quinoline is [2H]C1([2H])CC=Nc2ccccc21.
What is the InChIKey of 4,4-dideuterio-3H-quinoline?
The InChIKey is DNNVRTZJRKIUFK-BFWBPSQCSA-N. The full InChI is InChI=1S/C9H9N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-2,4,6-7H,3,5H2/i5D2.
What are the key properties of 4,4-dideuterio-3H-quinoline?
4,4-dideuterio-3H-quinoline has a molecular weight of 133.19 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dideuterio-3H-quinoline is sourced from PubChem (CID 175978097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).