6-chloro-2-(2-hydroxyethylamino)quinoline-5-carboxylic acid

C12H11ClN2O3 — CID 118555987

IUPAC6-chloro-2-(2-hydroxyethylamino)quinoline-5-carboxylic acid
SMILESO=C(O)c1c(Cl)ccc2nc(NCCO)ccc12
InChIInChI=1S/C12H11ClN2O3/c13-8-2-3-9-7(11(8)12(17)18)1-4-10(15-9)14-5-6-16/h1-4,16H,5-6H2,(H,14,15)(H,17,18)
InChIKeySOBCVIBKYKFWHL-UHFFFAOYSA-N
MW266.68 g/mol
LogP1.99
Rot. Bonds4

About 6-chloro-2-(2-hydroxyethylamino)quinoline-5-carboxylic acid

6-chloro-2-(2-hydroxyethylamino)quinoline-5-carboxylic acid (PubChem CID 118555987) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is 6-chloro-2-(2-hydroxyethylamino)quinoline-5-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-(2-hydroxyethylamino)quinoline-5-carboxylic acid
PubChem CID118555987
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC Name6-chloro-2-(2-hydroxyethylamino)quinoline-5-carboxylic acid
SMILESO=C(O)c1c(Cl)ccc2nc(NCCO)ccc12
InChIInChI=1S/C12H11ClN2O3/c13-8-2-3-9-7(11(8)12(17)18)1-4-10(15-9)14-5-6-16/h1-4,16H,5-6H2,(H,14,15)(H,17,18)
InChIKeySOBCVIBKYKFWHL-UHFFFAOYSA-N
XLogP1.99
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-(3-hydroxypropylamino)quinoline-5-carboxylic acid
CID 118556076
2-[(5-bromo-6-fluoroquinolin-2-yl)amino]ethanol
CID 58228014
6-chloro-2-pyrrolidin-1-ylquinoline-5-carboxylic acid
CID 118556113
2-(1-adamantyl)-N-[6-chloro-2-[2-(2-hydroxyethylamino)ethylamino]quinolin-5-yl]acetamide;dihydrochloride
CID 69071923
6-(2-aminoethylamino)-3-chloropyridine-2-carboxylic acid
CID 61402986
2,6-dichloroquinoline-5-carbonyl chloride
CID 131843681
6-(2-hydroxyethylamino)pyridazine-3-carboxylic acid
CID 62487295
2-[(6-aminoquinolin-2-yl)amino]ethanol
CID 43450889
6-chloro-2-(oxan-4-yl)quinoline-5-carboxylic acid
CID 118556049
6-chloro-2-(cyclohexen-1-yl)quinoline-5-carboxylic acid
CID 118556115
6-chloro-2-(3-hydroxycyclopentyl)quinoline-5-carboxylic acid
CID 118556050
3-chloro-6-(5-methoxypentylamino)pyridine-2-carboxylic acid
CID 114131082

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-hydroxyethylamino)quinoline-5-carboxylic acid?
The IUPAC name of 6-chloro-2-(2-hydroxyethylamino)quinoline-5-carboxylic acid (CID 118555987) is 6-chloro-2-(2-hydroxyethylamino)quinoline-5-carboxylic acid.
What is the SMILES notation for 6-chloro-2-(2-hydroxyethylamino)quinoline-5-carboxylic acid?
The canonical SMILES for 6-chloro-2-(2-hydroxyethylamino)quinoline-5-carboxylic acid is O=C(O)c1c(Cl)ccc2nc(NCCO)ccc12.
What is the InChIKey of 6-chloro-2-(2-hydroxyethylamino)quinoline-5-carboxylic acid?
The InChIKey is SOBCVIBKYKFWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c13-8-2-3-9-7(11(8)12(17)18)1-4-10(15-9)14-5-6-16/h1-4,16H,5-6H2,(H,14,15)(H,17,18).
What are the key properties of 6-chloro-2-(2-hydroxyethylamino)quinoline-5-carboxylic acid?
6-chloro-2-(2-hydroxyethylamino)quinoline-5-carboxylic acid has a molecular weight of 266.68 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-hydroxyethylamino)quinoline-5-carboxylic acid is sourced from PubChem (CID 118555987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).