2-[2-(2-chloro-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol

C18H15ClN2O — CID 123295812

IUPAC2-[2-(2-chloro-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol
SMILESCc1cc(C)c2ccc(C=Cc3cccnc3Cl)nc2c1O
InChIInChI=1S/C18H15ClN2O/c1-11-10-12(2)17(22)16-15(11)8-7-14(21-16)6-5-13-4-3-9-20-18(13)19/h3-10,22H,1-2H3
InChIKeyPTOJWXCPIPALIW-UHFFFAOYSA-N
MW310.78 g/mol
LogP4.78
Rot. Bonds2

About 2-[2-(2-chloro-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol

2-[2-(2-chloro-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol (PubChem CID 123295812) has the molecular formula C18H15ClN2O and a molecular weight of 310.78 g/mol. Its IUPAC name is 2-[2-(2-chloro-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol.

Molecular Properties

Compound Name2-[2-(2-chloro-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol
PubChem CID123295812
Molecular FormulaC18H15ClN2O
Molecular Weight310.78 g/mol
Exact Mass310.09
IUPAC Name2-[2-(2-chloro-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol
SMILESCc1cc(C)c2ccc(C=Cc3cccnc3Cl)nc2c1O
InChIInChI=1S/C18H15ClN2O/c1-11-10-12(2)17(22)16-15(11)8-7-14(21-16)6-5-13-4-3-9-20-18(13)19/h3-10,22H,1-2H3
InChIKeyPTOJWXCPIPALIW-UHFFFAOYSA-N
XLogP4.78
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-amino-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol
CID 123998441
5,7-dimethylquinolin-8-ol
CID 118341298
2-[(E)-2-(4-bromophenyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(6-bromo-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;2-[(E)-2-(2-chloro-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol;5,7-dimethyl-2-[(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenyl]quinolin-8-ol;3-[(E)-2-(8-hydroxy-5,7-dimethylquinolin-2-yl)ethenyl]benzonitrile;2-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol
CID 160927319
2-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol
CID 118341280
2-amino-5,7-dimethylquinolin-8-ol;ethane
CID 145281381
2-ethyl-5,7-dimethylquinolin-8-ol
CID 147103652
2-[2-(2-methylphenyl)ethenyl]quinolin-8-ol
CID 2922355
7-amino-5-chloro-2-[(E)-2-phenylethenyl]quinolin-8-ol
CID 141228959
2-(2-chloro-3-pyridinyl)ethenesulfonic acid
CID 73446728
7-fluoro-5-methylquinolin-8-ol
CID 59613713
methyl (Z)-3-(2-chloro-3-pyridinyl)prop-2-enoate
CID 139622680
7-chloro-8-hydroxyquinoline-5-carbaldehyde
CID 102399147

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol?
The IUPAC name of 2-[2-(2-chloro-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol (CID 123295812) is 2-[2-(2-chloro-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol.
What is the SMILES notation for 2-[2-(2-chloro-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol?
The canonical SMILES for 2-[2-(2-chloro-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol is Cc1cc(C)c2ccc(C=Cc3cccnc3Cl)nc2c1O.
What is the InChIKey of 2-[2-(2-chloro-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol?
The InChIKey is PTOJWXCPIPALIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O/c1-11-10-12(2)17(22)16-15(11)8-7-14(21-16)6-5-13-4-3-9-20-18(13)19/h3-10,22H,1-2H3.
What are the key properties of 2-[2-(2-chloro-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol?
2-[2-(2-chloro-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol has a molecular weight of 310.78 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloro-3-pyridinyl)ethenyl]-5,7-dimethylquinolin-8-ol is sourced from PubChem (CID 123295812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).