2-[(E)-5-chloropent-3-enyl]quinolin-7-ol

C14H14ClNO — CID 137288404

IUPAC2-[(E)-5-chloropent-3-enyl]quinolin-7-ol
SMILESOc1ccc2ccc(CC/C=C/CCl)nc2c1
InChIInChI=1S/C14H14ClNO/c15-9-3-1-2-4-12-7-5-11-6-8-13(17)10-14(11)16-12/h1,3,5-8,10,17H,2,4,9H2/b3-1+
InChIKeyBMELHMRHTGUEBI-HNQUOIGGSA-N
MW247.73 g/mol
LogP3.67
Rot. Bonds4

About 2-[(E)-5-chloropent-3-enyl]quinolin-7-ol

2-[(E)-5-chloropent-3-enyl]quinolin-7-ol (PubChem CID 137288404) has the molecular formula C14H14ClNO and a molecular weight of 247.73 g/mol. Its IUPAC name is 2-[(E)-5-chloropent-3-enyl]quinolin-7-ol.

Molecular Properties

Compound Name2-[(E)-5-chloropent-3-enyl]quinolin-7-ol
PubChem CID137288404
Molecular FormulaC14H14ClNO
Molecular Weight247.73 g/mol
Exact Mass247.08
IUPAC Name2-[(E)-5-chloropent-3-enyl]quinolin-7-ol
SMILESOc1ccc2ccc(CC/C=C/CCl)nc2c1
InChIInChI=1S/C14H14ClNO/c15-9-3-1-2-4-12-7-5-11-6-8-13(17)10-14(11)16-12/h1,3,5-8,10,17H,2,4,9H2/b3-1+
InChIKeyBMELHMRHTGUEBI-HNQUOIGGSA-N
XLogP3.67
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloroquinolin-7-ol
CID 135427710
2-ethylquinolin-6-ol
CID 19389936
2-(diazomethyl)quinolin-7-ol
CID 136824757
2-(phosphanylideneamino)quinolin-7-ol
CID 135999438
(6-hydroxyquinolin-2-yl)methyl formate
CID 175303705
2-(trifluoromethyl)quinolin-7-ol
CID 135463587
6-(3-chloroprop-1-enyl)pyridin-3-ol
CID 169476869
3-fluoro-4-(quinolin-2-ylmethyl)phenol
CID 83129838
2-(2-quinolin-2-ylethyl)phenol;hydrochloride
CID 90025480
3-quinolin-2-ylpropan-1-ol;dihydrochloride
CID 175501927
3-(chloromethyl)isoquinolin-7-ol
CID 133062702
6,7-dichloro-2-(chloromethyl)quinoline
CID 22241391

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-5-chloropent-3-enyl]quinolin-7-ol?
The IUPAC name of 2-[(E)-5-chloropent-3-enyl]quinolin-7-ol (CID 137288404) is 2-[(E)-5-chloropent-3-enyl]quinolin-7-ol.
What is the SMILES notation for 2-[(E)-5-chloropent-3-enyl]quinolin-7-ol?
The canonical SMILES for 2-[(E)-5-chloropent-3-enyl]quinolin-7-ol is Oc1ccc2ccc(CC/C=C/CCl)nc2c1.
What is the InChIKey of 2-[(E)-5-chloropent-3-enyl]quinolin-7-ol?
The InChIKey is BMELHMRHTGUEBI-HNQUOIGGSA-N. The full InChI is InChI=1S/C14H14ClNO/c15-9-3-1-2-4-12-7-5-11-6-8-13(17)10-14(11)16-12/h1,3,5-8,10,17H,2,4,9H2/b3-1+.
What are the key properties of 2-[(E)-5-chloropent-3-enyl]quinolin-7-ol?
2-[(E)-5-chloropent-3-enyl]quinolin-7-ol has a molecular weight of 247.73 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-5-chloropent-3-enyl]quinolin-7-ol is sourced from PubChem (CID 137288404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).