3-(2-chloroquinolin-3-yl)prop-2-en-1-ol

C12H10ClNO — CID 54467536

IUPAC3-(2-chloroquinolin-3-yl)prop-2-en-1-ol
SMILESOCC=Cc1cc2ccccc2nc1Cl
InChIInChI=1S/C12H10ClNO/c13-12-10(5-3-7-15)8-9-4-1-2-6-11(9)14-12/h1-6,8,15H,7H2
InChIKeyXFZFEUSYIJCDON-UHFFFAOYSA-N
MW219.67 g/mol
LogP2.89
Rot. Bonds2

About 3-(2-chloroquinolin-3-yl)prop-2-en-1-ol

3-(2-chloroquinolin-3-yl)prop-2-en-1-ol (PubChem CID 54467536) has the molecular formula C12H10ClNO and a molecular weight of 219.67 g/mol. Its IUPAC name is 3-(2-chloroquinolin-3-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-(2-chloroquinolin-3-yl)prop-2-en-1-ol
PubChem CID54467536
Molecular FormulaC12H10ClNO
Molecular Weight219.67 g/mol
Exact Mass219.05
IUPAC Name3-(2-chloroquinolin-3-yl)prop-2-en-1-ol
SMILESOCC=Cc1cc2ccccc2nc1Cl
InChIInChI=1S/C12H10ClNO/c13-12-10(5-3-7-15)8-9-4-1-2-6-11(9)14-12/h1-6,8,15H,7H2
InChIKeyXFZFEUSYIJCDON-UHFFFAOYSA-N
XLogP2.89
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(2-chloroquinolin-3-yl)-1-pyridin-2-ylprop-2-en-1-one
CID 52952841
(E)-3-(2-chloroquinolin-3-yl)-1-(2,3,4-trichlorophenyl)prop-2-en-1-one
CID 122188343
2-(2-chloroquinolin-3-yl)ethanol
CID 116985217
ethane;(E)-3-quinolin-3-ylprop-2-en-1-ol
CID 142035517
2-chloroquinolin-3-ol
CID 14616631
diethyl 2-[(2-chloroquinolin-3-yl)methylidene]propanedioate
CID 10426976
3-[(Z)-2-(benzenesulfonyl)-2-bromoethenyl]-2-chloroquinoline
CID 162400497
2-(2-chloroquinolin-3-yl)-3-methylbutan-1-ol
CID 116985269
[(2-chloroquinolin-3-yl)methylideneamino]thiourea
CID 71333342
N-[(2-chloroquinolin-3-yl)methylideneamino]acetamide
CID 1274642
1-(2-chloroquinolin-3-yl)-N-(3,4-dichlorophenyl)methanimine
CID 690981
(Z)-1-(2-chloroquinolin-3-yl)-N-(1,2,4-triazol-4-yl)methanimine
CID 45124564

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroquinolin-3-yl)prop-2-en-1-ol?
The IUPAC name of 3-(2-chloroquinolin-3-yl)prop-2-en-1-ol (CID 54467536) is 3-(2-chloroquinolin-3-yl)prop-2-en-1-ol.
What is the SMILES notation for 3-(2-chloroquinolin-3-yl)prop-2-en-1-ol?
The canonical SMILES for 3-(2-chloroquinolin-3-yl)prop-2-en-1-ol is OCC=Cc1cc2ccccc2nc1Cl.
What is the InChIKey of 3-(2-chloroquinolin-3-yl)prop-2-en-1-ol?
The InChIKey is XFZFEUSYIJCDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO/c13-12-10(5-3-7-15)8-9-4-1-2-6-11(9)14-12/h1-6,8,15H,7H2.
What are the key properties of 3-(2-chloroquinolin-3-yl)prop-2-en-1-ol?
3-(2-chloroquinolin-3-yl)prop-2-en-1-ol has a molecular weight of 219.67 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroquinolin-3-yl)prop-2-en-1-ol is sourced from PubChem (CID 54467536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).