[5-chloro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-pyridinyl]methanol

C16H17ClN2O — CID 114920185

IUPAC[5-chloro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-pyridinyl]methanol
SMILESCC1CCc2ccccc2N1c1cc(CO)c(Cl)cn1
InChIInChI=1S/C16H17ClN2O/c1-11-6-7-12-4-2-3-5-15(12)19(11)16-8-13(10-20)14(17)9-18-16/h2-5,8-9,11,20H,6-7,10H2,1H3
InChIKeyBYHUNCQOKRYIDE-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.70
Rot. Bonds2

About [5-chloro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-pyridinyl]methanol

[5-chloro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-pyridinyl]methanol (PubChem CID 114920185) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is [5-chloro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-pyridinyl]methanol
PubChem CID114920185
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name[5-chloro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-pyridinyl]methanol
SMILESCC1CCc2ccccc2N1c1cc(CO)c(Cl)cn1
InChIInChI=1S/C16H17ClN2O/c1-11-6-7-12-4-2-3-5-15(12)19(11)16-8-13(10-20)14(17)9-18-16/h2-5,8-9,11,20H,6-7,10H2,1H3
InChIKeyBYHUNCQOKRYIDE-UHFFFAOYSA-N
XLogP3.70
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methanol
CID 61252238
[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrazin-2-yl]methanol
CID 66466369
[4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-5-yl]methanol
CID 83184186
1-[4-(chloromethyl)-2-pyridinyl]-2-methyl-3,4-dihydro-2H-quinoline
CID 61257602
1-(6-chloro-2-methylpyrimidin-4-yl)-2-methyl-3,4-dihydro-2H-quinoline
CID 55080188
[5-chloro-2-(2-methylpiperidin-1-yl)-4-pyridinyl]methanol
CID 114920177
[4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]methanol
CID 61254539
N-ethyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine
CID 80756943
1-(2-chloro-6-methylpyrimidin-4-yl)-2-methyl-3,4-dihydro-2H-quinoline
CID 62477779
2-[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]ethanamine
CID 80633282
1-[3-chloro-2-(chloromethyl)phenyl]-2-methyl-3,4-dihydro-2H-quinoline
CID 43121155
[5-chloro-2-(2-cyclopentylpyrrolidin-1-yl)-4-pyridinyl]methanol
CID 114920343

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-pyridinyl]methanol?
The IUPAC name of [5-chloro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-pyridinyl]methanol (CID 114920185) is [5-chloro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-pyridinyl]methanol.
What is the SMILES notation for [5-chloro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-pyridinyl]methanol?
The canonical SMILES for [5-chloro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-pyridinyl]methanol is CC1CCc2ccccc2N1c1cc(CO)c(Cl)cn1.
What is the InChIKey of [5-chloro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-pyridinyl]methanol?
The InChIKey is BYHUNCQOKRYIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-11-6-7-12-4-2-3-5-15(12)19(11)16-8-13(10-20)14(17)9-18-16/h2-5,8-9,11,20H,6-7,10H2,1H3.
What are the key properties of [5-chloro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-pyridinyl]methanol?
[5-chloro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-pyridinyl]methanol has a molecular weight of 288.78 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-pyridinyl]methanol is sourced from PubChem (CID 114920185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).