2-(3-chloro-4-pyridinyl)-1-(2-methylquinolin-4-yl)ethanol

C17H15ClN2O — CID 79234085

IUPAC2-(3-chloro-4-pyridinyl)-1-(2-methylquinolin-4-yl)ethanol
SMILESCc1cc(C(O)Cc2ccncc2Cl)c2ccccc2n1
InChIInChI=1S/C17H15ClN2O/c1-11-8-14(13-4-2-3-5-16(13)20-11)17(21)9-12-6-7-19-10-15(12)18/h2-8,10,17,21H,9H2,1H3
InChIKeyBCKOOQRHIVGMQG-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.87
Rot. Bonds3

About 2-(3-chloro-4-pyridinyl)-1-(2-methylquinolin-4-yl)ethanol

2-(3-chloro-4-pyridinyl)-1-(2-methylquinolin-4-yl)ethanol (PubChem CID 79234085) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)-1-(2-methylquinolin-4-yl)ethanol.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)-1-(2-methylquinolin-4-yl)ethanol
PubChem CID79234085
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name2-(3-chloro-4-pyridinyl)-1-(2-methylquinolin-4-yl)ethanol
SMILESCc1cc(C(O)Cc2ccncc2Cl)c2ccccc2n1
InChIInChI=1S/C17H15ClN2O/c1-11-8-14(13-4-2-3-5-16(13)20-11)17(21)9-12-6-7-19-10-15(12)18/h2-8,10,17,21H,9H2,1H3
InChIKeyBCKOOQRHIVGMQG-UHFFFAOYSA-N
XLogP3.87
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylquinolin-4-yl)pentan-1-ol
CID 79235698
2-(3-chloro-4-pyridinyl)-1-(2-methylsulfanylphenyl)ethanol
CID 112655772
2-(5-ethylthiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanol
CID 79233820
1-(3-bromo-2-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanol
CID 112655806
2-(3-chloro-4-pyridinyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol
CID 105105539
2-(5-bromo-2-pyridinyl)-1-(2-methylquinolin-4-yl)ethanol
CID 104802241
[1-(2-methylquinolin-4-yl)-2-pyridin-3-ylethyl]hydrazine
CID 105333737
2-(3-chloro-4-pyridinyl)-1-quinolin-4-ylethanamine
CID 105157445
3-methyl-1-(2-methylquinolin-4-yl)pentan-1-ol
CID 79235619
1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-4-pyridinyl)ethanol
CID 112655781
4,4-dimethyl-1-(2-methylquinolin-4-yl)pentan-1-ol
CID 79235538
4-(2-bromo-2-naphthalen-1-ylethyl)-3-chloropyridine
CID 115985139

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(2-methylquinolin-4-yl)ethanol?
The IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(2-methylquinolin-4-yl)ethanol (CID 79234085) is 2-(3-chloro-4-pyridinyl)-1-(2-methylquinolin-4-yl)ethanol.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)-1-(2-methylquinolin-4-yl)ethanol?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)-1-(2-methylquinolin-4-yl)ethanol is Cc1cc(C(O)Cc2ccncc2Cl)c2ccccc2n1.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)-1-(2-methylquinolin-4-yl)ethanol?
The InChIKey is BCKOOQRHIVGMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-11-8-14(13-4-2-3-5-16(13)20-11)17(21)9-12-6-7-19-10-15(12)18/h2-8,10,17,21H,9H2,1H3.
What are the key properties of 2-(3-chloro-4-pyridinyl)-1-(2-methylquinolin-4-yl)ethanol?
2-(3-chloro-4-pyridinyl)-1-(2-methylquinolin-4-yl)ethanol has a molecular weight of 298.77 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-pyridinyl)-1-(2-methylquinolin-4-yl)ethanol is sourced from PubChem (CID 79234085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).