(1R)-4-iodo-1-quinolin-6-ylpent-3-en-1-ol

C14H14INO — CID 86586613

IUPAC(1R)-4-iodo-1-quinolin-6-ylpent-3-en-1-ol
SMILESCC(I)=CC[C@@H](O)c1ccc2ncccc2c1
InChIInChI=1S/C14H14INO/c1-10(15)4-7-14(17)12-5-6-13-11(9-12)3-2-8-16-13/h2-6,8-9,14,17H,7H2,1H3/t14-/m1/s1
InChIKeySBZBNBQADIWIHI-CQSZACIVSA-N
MW339.18 g/mol
LogP4.00
Rot. Bonds3

About (1R)-4-iodo-1-quinolin-6-ylpent-3-en-1-ol

(1R)-4-iodo-1-quinolin-6-ylpent-3-en-1-ol (PubChem CID 86586613) has the molecular formula C14H14INO and a molecular weight of 339.18 g/mol. Its IUPAC name is (1R)-4-iodo-1-quinolin-6-ylpent-3-en-1-ol.

Molecular Properties

Compound Name(1R)-4-iodo-1-quinolin-6-ylpent-3-en-1-ol
PubChem CID86586613
Molecular FormulaC14H14INO
Molecular Weight339.18 g/mol
Exact Mass339.01
IUPAC Name(1R)-4-iodo-1-quinolin-6-ylpent-3-en-1-ol
SMILESCC(I)=CC[C@@H](O)c1ccc2ncccc2c1
InChIInChI=1S/C14H14INO/c1-10(15)4-7-14(17)12-5-6-13-11(9-12)3-2-8-16-13/h2-6,8-9,14,17H,7H2,1H3/t14-/m1/s1
InChIKeySBZBNBQADIWIHI-CQSZACIVSA-N
XLogP4.00
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-quinolin-6-ylbutane-1,2-diol
CID 103454747
[(2S)-2-hydroxy-2-quinolin-6-ylethyl]azanium
CID 7016270
2-(3,5-dimethylphenyl)-1-quinolin-6-ylethanol
CID 63095266
3-amino-3-methyl-1-quinolin-6-ylbutan-1-ol
CID 112753988
2-(tert-butylamino)-1-quinolin-6-ylethanol
CID 81221991
4,4,4-trifluoro-1-quinolin-6-ylbutan-1-ol
CID 64566958
2-propyl-1-quinolin-6-ylpentan-1-ol
CID 115826786
2-cycloheptyl-1-quinolin-6-ylethanol
CID 115826801
4-hydroxy-2-methyl-4-quinolin-6-ylbutanoic acid
CID 63969311
2-phenoxy-1-quinolin-6-ylethanol
CID 81220739
6-(3-quinolin-6-ylbutan-2-yl)quinoline
CID 20658775
3-pyridin-2-yl-1-quinolin-6-ylpropan-1-ol
CID 105118735

Frequently Asked Questions

What is the IUPAC name of (1R)-4-iodo-1-quinolin-6-ylpent-3-en-1-ol?
The IUPAC name of (1R)-4-iodo-1-quinolin-6-ylpent-3-en-1-ol (CID 86586613) is (1R)-4-iodo-1-quinolin-6-ylpent-3-en-1-ol.
What is the SMILES notation for (1R)-4-iodo-1-quinolin-6-ylpent-3-en-1-ol?
The canonical SMILES for (1R)-4-iodo-1-quinolin-6-ylpent-3-en-1-ol is CC(I)=CC[C@@H](O)c1ccc2ncccc2c1.
What is the InChIKey of (1R)-4-iodo-1-quinolin-6-ylpent-3-en-1-ol?
The InChIKey is SBZBNBQADIWIHI-CQSZACIVSA-N. The full InChI is InChI=1S/C14H14INO/c1-10(15)4-7-14(17)12-5-6-13-11(9-12)3-2-8-16-13/h2-6,8-9,14,17H,7H2,1H3/t14-/m1/s1.
What are the key properties of (1R)-4-iodo-1-quinolin-6-ylpent-3-en-1-ol?
(1R)-4-iodo-1-quinolin-6-ylpent-3-en-1-ol has a molecular weight of 339.18 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-iodo-1-quinolin-6-ylpent-3-en-1-ol is sourced from PubChem (CID 86586613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).