2-(5-chloro-2-methoxyquinolin-6-yl)acetic acid

C12H10ClNO3 — CID 117382450

IUPAC2-(5-chloro-2-methoxyquinolin-6-yl)acetic acid
SMILESCOc1ccc2c(Cl)c(CC(=O)O)ccc2n1
InChIInChI=1S/C12H10ClNO3/c1-17-10-5-3-8-9(14-10)4-2-7(12(8)13)6-11(15)16/h2-5H,6H2,1H3,(H,15,16)
InChIKeyNGQJLBSTQVZWBR-UHFFFAOYSA-N
MW251.67 g/mol
LogP2.52
Rot. Bonds3

About 2-(5-chloro-2-methoxyquinolin-6-yl)acetic acid

2-(5-chloro-2-methoxyquinolin-6-yl)acetic acid (PubChem CID 117382450) has the molecular formula C12H10ClNO3 and a molecular weight of 251.67 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyquinolin-6-yl)acetic acid.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyquinolin-6-yl)acetic acid
PubChem CID117382450
Molecular FormulaC12H10ClNO3
Molecular Weight251.67 g/mol
Exact Mass251.03
IUPAC Name2-(5-chloro-2-methoxyquinolin-6-yl)acetic acid
SMILESCOc1ccc2c(Cl)c(CC(=O)O)ccc2n1
InChIInChI=1S/C12H10ClNO3/c1-17-10-5-3-8-9(14-10)4-2-7(12(8)13)6-11(15)16/h2-5H,6H2,1H3,(H,15,16)
InChIKeyNGQJLBSTQVZWBR-UHFFFAOYSA-N
XLogP2.52
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-5-chloro-2-methoxyquinoline
CID 84713362
ethyl 2-(5-chloro-2-methoxyquinolin-6-yl)-2-oxoacetate
CID 117473809
3-(2,5-dichloroquinolin-6-yl)propanoic acid
CID 117428226
5-chloro-6-(1-isocyanatocyclopentyl)-2-methoxyquinoline
CID 117487583
5-chloro-2-methoxy-6-(2-methylpyrrolidin-2-yl)quinoline
CID 117443421
2-(2,3-dichloro-4-methylphenyl)acetic acid
CID 119014032
(2R)-2-amino-2-(2-chloro-6-methoxy-3-pyridinyl)acetic acid
CID 131214154
2-(4-chloro-6-methylquinolin-3-yl)acetic acid
CID 84699091
6-methoxy-2-methylpyridine-3-carbaldehyde;(6-methoxy-2-methyl-3-pyridinyl)methanol
CID 160848929
2-(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetic acid
CID 115322042
ethyl 2-(2-methoxyquinolin-6-yl)acetate
CID 21498743
methyl 2-(1-chloro-6-methylnaphthalen-2-yl)acetate
CID 54155467

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyquinolin-6-yl)acetic acid?
The IUPAC name of 2-(5-chloro-2-methoxyquinolin-6-yl)acetic acid (CID 117382450) is 2-(5-chloro-2-methoxyquinolin-6-yl)acetic acid.
What is the SMILES notation for 2-(5-chloro-2-methoxyquinolin-6-yl)acetic acid?
The canonical SMILES for 2-(5-chloro-2-methoxyquinolin-6-yl)acetic acid is COc1ccc2c(Cl)c(CC(=O)O)ccc2n1.
What is the InChIKey of 2-(5-chloro-2-methoxyquinolin-6-yl)acetic acid?
The InChIKey is NGQJLBSTQVZWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO3/c1-17-10-5-3-8-9(14-10)4-2-7(12(8)13)6-11(15)16/h2-5H,6H2,1H3,(H,15,16).
What are the key properties of 2-(5-chloro-2-methoxyquinolin-6-yl)acetic acid?
2-(5-chloro-2-methoxyquinolin-6-yl)acetic acid has a molecular weight of 251.67 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyquinolin-6-yl)acetic acid is sourced from PubChem (CID 117382450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).