2-(8-chloro-5-methoxyquinolin-3-yl)acetic acid

C12H10ClNO3 — CID 84634455

IUPAC2-(8-chloro-5-methoxyquinolin-3-yl)acetic acid
SMILESCOc1ccc(Cl)c2ncc(CC(=O)O)cc12
InChIInChI=1S/C12H10ClNO3/c1-17-10-3-2-9(13)12-8(10)4-7(6-14-12)5-11(15)16/h2-4,6H,5H2,1H3,(H,15,16)
InChIKeyFLRDVMRFGHQHQN-UHFFFAOYSA-N
MW251.67 g/mol
LogP2.52
Rot. Bonds3

About 2-(8-chloro-5-methoxyquinolin-3-yl)acetic acid

2-(8-chloro-5-methoxyquinolin-3-yl)acetic acid (PubChem CID 84634455) has the molecular formula C12H10ClNO3 and a molecular weight of 251.67 g/mol. Its IUPAC name is 2-(8-chloro-5-methoxyquinolin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(8-chloro-5-methoxyquinolin-3-yl)acetic acid
PubChem CID84634455
Molecular FormulaC12H10ClNO3
Molecular Weight251.67 g/mol
Exact Mass251.03
IUPAC Name2-(8-chloro-5-methoxyquinolin-3-yl)acetic acid
SMILESCOc1ccc(Cl)c2ncc(CC(=O)O)cc12
InChIInChI=1S/C12H10ClNO3/c1-17-10-3-2-9(13)12-8(10)4-7(6-14-12)5-11(15)16/h2-4,6H,5H2,1H3,(H,15,16)
InChIKeyFLRDVMRFGHQHQN-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

2,8-dichloro-3-ethyl-5-methoxyquinoline
CID 63232145
8-chloro-2-(dimethylamino)-5-methoxyquinoline-3-carboxylic acid
CID 84642729
2-(5-chloro-8-methoxy-4-methylquinolin-2-yl)acetic acid
CID 82574937
2-[4-(3-chloro-4-methoxyphenyl)pyrimidin-5-yl]acetic acid
CID 95482936
2-(4-amino-3-chloro-5-methoxyphenyl)acetic acid
CID 91620100
2-(3-ethoxy-4-methoxyphenyl)acetic acid
CID 7144569
2-(5-chloro-3-methoxy-2-pyridinyl)acetic acid
CID 84670284
2-(2,5-dichloro-4-methoxyphenyl)acetic acid
CID 5202225
2-[4-[(3-chloro-4-prop-2-enoxyphenyl)methoxy]-3-methoxyphenyl]acetic acid
CID 3534941
2-(3-iodo-4-methoxyphenyl)acetic acid
CID 13353983
2-(6,7-dimethoxyquinolin-4-yl)acetic acid
CID 11436553
2-(4-chloro-3-methoxy-2-methylphenoxy)acetic acid
CID 84693979

Frequently Asked Questions

What is the IUPAC name of 2-(8-chloro-5-methoxyquinolin-3-yl)acetic acid?
The IUPAC name of 2-(8-chloro-5-methoxyquinolin-3-yl)acetic acid (CID 84634455) is 2-(8-chloro-5-methoxyquinolin-3-yl)acetic acid.
What is the SMILES notation for 2-(8-chloro-5-methoxyquinolin-3-yl)acetic acid?
The canonical SMILES for 2-(8-chloro-5-methoxyquinolin-3-yl)acetic acid is COc1ccc(Cl)c2ncc(CC(=O)O)cc12.
What is the InChIKey of 2-(8-chloro-5-methoxyquinolin-3-yl)acetic acid?
The InChIKey is FLRDVMRFGHQHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO3/c1-17-10-3-2-9(13)12-8(10)4-7(6-14-12)5-11(15)16/h2-4,6H,5H2,1H3,(H,15,16).
What are the key properties of 2-(8-chloro-5-methoxyquinolin-3-yl)acetic acid?
2-(8-chloro-5-methoxyquinolin-3-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-(8-chloro-5-methoxyquinolin-3-yl)acetic acid is sourced from PubChem (CID 84634455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).