(Z)-3-iodo-3-quinolin-3-ylprop-2-en-1-ol

C12H10INO — CID 19261539

IUPAC(Z)-3-iodo-3-quinolin-3-ylprop-2-en-1-ol
SMILESOC/C=C(\I)c1cnc2ccccc2c1
InChIInChI=1S/C12H10INO/c13-11(5-6-15)10-7-9-3-1-2-4-12(9)14-8-10/h1-5,7-8,15H,6H2/b11-5-
InChIKeyZHDZMILKJWWVBS-WZUFQYTHSA-N
MW311.12 g/mol
LogP3.00
Rot. Bonds2

About (Z)-3-iodo-3-quinolin-3-ylprop-2-en-1-ol

(Z)-3-iodo-3-quinolin-3-ylprop-2-en-1-ol (PubChem CID 19261539) has the molecular formula C12H10INO and a molecular weight of 311.12 g/mol. Its IUPAC name is (Z)-3-iodo-3-quinolin-3-ylprop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-iodo-3-quinolin-3-ylprop-2-en-1-ol
PubChem CID19261539
Molecular FormulaC12H10INO
Molecular Weight311.12 g/mol
Exact Mass310.98
IUPAC Name(Z)-3-iodo-3-quinolin-3-ylprop-2-en-1-ol
SMILESOC/C=C(\I)c1cnc2ccccc2c1
InChIInChI=1S/C12H10INO/c13-11(5-6-15)10-7-9-3-1-2-4-12(9)14-8-10/h1-5,7-8,15H,6H2/b11-5-
InChIKeyZHDZMILKJWWVBS-WZUFQYTHSA-N
XLogP3.00
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.12
LogP ≤ 53.00
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-3-ylethene-1,2-dithiol
CID 72543184
quinoline-3-carboxylate
CID 4608508
1-quinolin-3-ylprop-2-en-1-one
CID 103453657
3,3-dimethyl-1-quinolin-3-ylbutan-1-one
CID 63892352
quinoline-3-carboxamide;hydrofluoride
CID 174911514
ethane;(E)-3-quinolin-3-ylprop-2-en-1-ol
CID 142035517
prop-2-enyl quinoline-3-carboxylate
CID 54359165
2-pyridin-4-yl-1-quinolin-3-ylethanone
CID 62551225
3-buta-2,3-dien-2-ylquinoline
CID 142698534
carbonyl dichloride;quinoline-3-carboxylic acid
CID 175289113
1-quinolin-3-yloctan-1-one
CID 114963108
2-quinolin-3-ylethanol
CID 53403774

Frequently Asked Questions

What is the IUPAC name of (Z)-3-iodo-3-quinolin-3-ylprop-2-en-1-ol?
The IUPAC name of (Z)-3-iodo-3-quinolin-3-ylprop-2-en-1-ol (CID 19261539) is (Z)-3-iodo-3-quinolin-3-ylprop-2-en-1-ol.
What is the SMILES notation for (Z)-3-iodo-3-quinolin-3-ylprop-2-en-1-ol?
The canonical SMILES for (Z)-3-iodo-3-quinolin-3-ylprop-2-en-1-ol is OC/C=C(\I)c1cnc2ccccc2c1.
What is the InChIKey of (Z)-3-iodo-3-quinolin-3-ylprop-2-en-1-ol?
The InChIKey is ZHDZMILKJWWVBS-WZUFQYTHSA-N. The full InChI is InChI=1S/C12H10INO/c13-11(5-6-15)10-7-9-3-1-2-4-12(9)14-8-10/h1-5,7-8,15H,6H2/b11-5-.
What are the key properties of (Z)-3-iodo-3-quinolin-3-ylprop-2-en-1-ol?
(Z)-3-iodo-3-quinolin-3-ylprop-2-en-1-ol has a molecular weight of 311.12 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-iodo-3-quinolin-3-ylprop-2-en-1-ol is sourced from PubChem (CID 19261539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).