5-chloro-7-[hydroxy(pyridin-3-yl)methyl]quinolin-8-ol

C15H11ClN2O2 — CID 146026296

IUPAC5-chloro-7-[hydroxy(pyridin-3-yl)methyl]quinolin-8-ol
SMILESOc1c(C(O)c2cccnc2)cc(Cl)c2cccnc12
InChIInChI=1S/C15H11ClN2O2/c16-12-7-11(14(19)9-3-1-5-17-8-9)15(20)13-10(12)4-2-6-18-13/h1-8,14,19-20H
InChIKeyYRPMEKVGBNNTPB-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.07
Rot. Bonds2

About 5-chloro-7-[hydroxy(pyridin-3-yl)methyl]quinolin-8-ol

5-chloro-7-[hydroxy(pyridin-3-yl)methyl]quinolin-8-ol (PubChem CID 146026296) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 5-chloro-7-[hydroxy(pyridin-3-yl)methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-chloro-7-[hydroxy(pyridin-3-yl)methyl]quinolin-8-ol
PubChem CID146026296
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name5-chloro-7-[hydroxy(pyridin-3-yl)methyl]quinolin-8-ol
SMILESOc1c(C(O)c2cccnc2)cc(Cl)c2cccnc12
InChIInChI=1S/C15H11ClN2O2/c16-12-7-11(14(19)9-3-1-5-17-8-9)15(20)13-10(12)4-2-6-18-13/h1-8,14,19-20H
InChIKeyYRPMEKVGBNNTPB-UHFFFAOYSA-N
XLogP3.07
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]acetamide
CID 164865635
1-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]cyclopropane-1-carboxamide
CID 175779749
5-chloro-7-pentan-3-ylquinolin-8-ol
CID 91402893
3-chloro-1-(5-chloro-8-hydroxyquinolin-7-yl)propane-1,2-diol
CID 171863193
7-[amino(pyridin-3-yl)methyl]-5-methylquinolin-8-ol
CID 164865697
5,7-dichloroquinolin-8-ol;nickel
CID 175096460
N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide
CID 24958912
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-fluorophenyl)methyl]-2-pyridin-3-yloxyacetamide
CID 24961465
(2-chloro-4-fluorophenyl)-pyridin-3-ylmethanol
CID 62945841
pyridin-3-yl(pyrimidin-2-yl)methanol
CID 54244340
3-(5-chloro-8-hydroxyquinolin-7-yl)-3-(2-chlorophenyl)-2-phenylpropanamide
CID 173159899
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]acetamide
CID 3136129

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-[hydroxy(pyridin-3-yl)methyl]quinolin-8-ol?
The IUPAC name of 5-chloro-7-[hydroxy(pyridin-3-yl)methyl]quinolin-8-ol (CID 146026296) is 5-chloro-7-[hydroxy(pyridin-3-yl)methyl]quinolin-8-ol.
What is the SMILES notation for 5-chloro-7-[hydroxy(pyridin-3-yl)methyl]quinolin-8-ol?
The canonical SMILES for 5-chloro-7-[hydroxy(pyridin-3-yl)methyl]quinolin-8-ol is Oc1c(C(O)c2cccnc2)cc(Cl)c2cccnc12.
What is the InChIKey of 5-chloro-7-[hydroxy(pyridin-3-yl)methyl]quinolin-8-ol?
The InChIKey is YRPMEKVGBNNTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c16-12-7-11(14(19)9-3-1-5-17-8-9)15(20)13-10(12)4-2-6-18-13/h1-8,14,19-20H.
What are the key properties of 5-chloro-7-[hydroxy(pyridin-3-yl)methyl]quinolin-8-ol?
5-chloro-7-[hydroxy(pyridin-3-yl)methyl]quinolin-8-ol has a molecular weight of 286.72 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-[hydroxy(pyridin-3-yl)methyl]quinolin-8-ol is sourced from PubChem (CID 146026296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).