1-(2,5-dichloroquinolin-6-yl)cyclopropane-1-carboxylic acid

C13H9Cl2NO2 — CID 117452951

IUPAC1-(2,5-dichloroquinolin-6-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc3nc(Cl)ccc3c2Cl)CC1
InChIInChI=1S/C13H9Cl2NO2/c14-10-4-1-7-9(16-10)3-2-8(11(7)15)13(5-6-13)12(17)18/h1-4H,5-6H2,(H,17,18)
InChIKeyOTSAKZRJFSRLMY-UHFFFAOYSA-N
MW282.13 g/mol
LogP3.66
Rot. Bonds2

About 1-(2,5-dichloroquinolin-6-yl)cyclopropane-1-carboxylic acid

1-(2,5-dichloroquinolin-6-yl)cyclopropane-1-carboxylic acid (PubChem CID 117452951) has the molecular formula C13H9Cl2NO2 and a molecular weight of 282.13 g/mol. Its IUPAC name is 1-(2,5-dichloroquinolin-6-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2,5-dichloroquinolin-6-yl)cyclopropane-1-carboxylic acid
PubChem CID117452951
Molecular FormulaC13H9Cl2NO2
Molecular Weight282.13 g/mol
Exact Mass281.00
IUPAC Name1-(2,5-dichloroquinolin-6-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc3nc(Cl)ccc3c2Cl)CC1
InChIInChI=1S/C13H9Cl2NO2/c14-10-4-1-7-9(16-10)3-2-8(11(7)15)13(5-6-13)12(17)18/h1-4H,5-6H2,(H,17,18)
InChIKeyOTSAKZRJFSRLMY-UHFFFAOYSA-N
XLogP3.66
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

7-Chloro-8-methyl-2-phenylquinoline-4-carboxylic acid
CID 237084
2-(6-Chloro-2-methyl-4-phenylquinolin-3-yl)acetic acid
CID 2113979
2-[4-(4-Chlorophenyl)-2-methylquinolin-3-yl]acetic acid
CID 90655878
2-[6-Chloro-4-(2-chlorophenyl)-2-methylquinolin-3-yl]acetic acid
CID 2113898
2-(6-Chloro-2-methyl-4-phenylquinolin-3-yl)acetic acid hydrochloride
CID 20847930
2-[2-(Trifluoromethyl)quinolin-6-yl]acetic acid
CID 18755234
2-[4-Chloro-3-methyl-2-(trifluoromethyl)quinolin-6-yl]acetic acid
CID 18959591
2-[4-Chloro-8-methyl-2-(trifluoromethyl)quinolin-6-yl]acetic acid
CID 18959607
2-[4-Chloro-3-ethyl-2-(2-fluorophenyl)quinolin-6-yl]acetic acid
CID 18959628
Methyl 2-[4-chloro-2-(trifluoromethyl)quinolin-6-yl]acetate
CID 53643202
2-(2-Fluoroquinolin-6-yl)acetic acid
CID 68859955
Methyl 2-[4-chloro-8-methyl-2-(trifluoromethyl)quinolin-6-yl]acetate
CID 139607553

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichloroquinolin-6-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2,5-dichloroquinolin-6-yl)cyclopropane-1-carboxylic acid (CID 117452951) is 1-(2,5-dichloroquinolin-6-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2,5-dichloroquinolin-6-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2,5-dichloroquinolin-6-yl)cyclopropane-1-carboxylic acid is O=C(O)C1(c2ccc3nc(Cl)ccc3c2Cl)CC1.
What is the InChIKey of 1-(2,5-dichloroquinolin-6-yl)cyclopropane-1-carboxylic acid?
The InChIKey is OTSAKZRJFSRLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO2/c14-10-4-1-7-9(16-10)3-2-8(11(7)15)13(5-6-13)12(17)18/h1-4H,5-6H2,(H,17,18).
What are the key properties of 1-(2,5-dichloroquinolin-6-yl)cyclopropane-1-carboxylic acid?
1-(2,5-dichloroquinolin-6-yl)cyclopropane-1-carboxylic acid has a molecular weight of 282.13 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichloroquinolin-6-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117452951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).