methyl 2-(5-chloro-8-hydroxyquinolin-2-yl)acetate

C12H10ClNO3 — CID 171776280

IUPACmethyl 2-(5-chloro-8-hydroxyquinolin-2-yl)acetate
SMILESCOC(=O)Cc1ccc2c(Cl)ccc(O)c2n1
InChIInChI=1S/C12H10ClNO3/c1-17-11(16)6-7-2-3-8-9(13)4-5-10(15)12(8)14-7/h2-5,15H,6H2,1H3
InChIKeyKOORUEBQJUHBSN-UHFFFAOYSA-N
MW251.67 g/mol
LogP2.31
Rot. Bonds2

About methyl 2-(5-chloro-8-hydroxyquinolin-2-yl)acetate

methyl 2-(5-chloro-8-hydroxyquinolin-2-yl)acetate (PubChem CID 171776280) has the molecular formula C12H10ClNO3 and a molecular weight of 251.67 g/mol. Its IUPAC name is methyl 2-(5-chloro-8-hydroxyquinolin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-chloro-8-hydroxyquinolin-2-yl)acetate
PubChem CID171776280
Molecular FormulaC12H10ClNO3
Molecular Weight251.67 g/mol
Exact Mass251.03
IUPAC Namemethyl 2-(5-chloro-8-hydroxyquinolin-2-yl)acetate
SMILESCOC(=O)Cc1ccc2c(Cl)ccc(O)c2n1
InChIInChI=1S/C12H10ClNO3/c1-17-11(16)6-7-2-3-8-9(13)4-5-10(15)12(8)14-7/h2-5,15H,6H2,1H3
InChIKeyKOORUEBQJUHBSN-UHFFFAOYSA-N
XLogP2.31
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(5,7-dichloroquinolin-2-yl)acetate
CID 82247403
methyl 2-(2,3-dichloro-6-hydroxyphenyl)acetate
CID 130864862
5-chloro-8-hydroxyquinoline-2-carboxylic acid
CID 22044547
methyl 2-[5-chloro-2-[(4-chlorophenyl)methyl]quinolin-8-yl]oxyacetate
CID 68863621
methyl 2-(6-bromo-5-methoxy-2-pyridinyl)acetate
CID 133098094
methyl 2-(6-cyano-5-methyl-2-pyridinyl)acetate
CID 130779463
2-(6-chloro-5-hydroxy-2-pyridinyl)acetic acid
CID 82602547
methyl 2-(6-amino-5-bromo-2-pyridinyl)acetate
CID 130681822
methyl 2-(5-fluoro-6-methoxy-2-pyridinyl)acetate
CID 133097041
methyl 2-(7-chloro-6-hydroxy-1-benzofuran-3-yl)acetate
CID 119086644
5-chloro-2-(3,6,12,15-tetraoxa-9,21-diazabicyclo[15.3.1]henicosa-1(20),17(21),18-trien-19-ylmethyl)quinolin-8-ol
CID 100998978
methyl 2-[6-(difluoromethyl)-2-pyridinyl]acetate
CID 134683087

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-chloro-8-hydroxyquinolin-2-yl)acetate?
The IUPAC name of methyl 2-(5-chloro-8-hydroxyquinolin-2-yl)acetate (CID 171776280) is methyl 2-(5-chloro-8-hydroxyquinolin-2-yl)acetate.
What is the SMILES notation for methyl 2-(5-chloro-8-hydroxyquinolin-2-yl)acetate?
The canonical SMILES for methyl 2-(5-chloro-8-hydroxyquinolin-2-yl)acetate is COC(=O)Cc1ccc2c(Cl)ccc(O)c2n1.
What is the InChIKey of methyl 2-(5-chloro-8-hydroxyquinolin-2-yl)acetate?
The InChIKey is KOORUEBQJUHBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO3/c1-17-11(16)6-7-2-3-8-9(13)4-5-10(15)12(8)14-7/h2-5,15H,6H2,1H3.
What are the key properties of methyl 2-(5-chloro-8-hydroxyquinolin-2-yl)acetate?
methyl 2-(5-chloro-8-hydroxyquinolin-2-yl)acetate has a molecular weight of 251.67 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-chloro-8-hydroxyquinolin-2-yl)acetate is sourced from PubChem (CID 171776280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).