6-chloro-2-(3-hydroxycyclopentyl)quinoline-5-carboxylic acid

C15H14ClNO3 — CID 118556050

IUPAC6-chloro-2-(3-hydroxycyclopentyl)quinoline-5-carboxylic acid
SMILESO=C(O)c1c(Cl)ccc2nc(C3CCC(O)C3)ccc12
InChIInChI=1S/C15H14ClNO3/c16-11-4-6-13-10(14(11)15(19)20)3-5-12(17-13)8-1-2-9(18)7-8/h3-6,8-9,18H,1-2,7H2,(H,19,20)
InChIKeyPICZPCHNVCEDTB-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.21
Rot. Bonds2

About 6-chloro-2-(3-hydroxycyclopentyl)quinoline-5-carboxylic acid

6-chloro-2-(3-hydroxycyclopentyl)quinoline-5-carboxylic acid (PubChem CID 118556050) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is 6-chloro-2-(3-hydroxycyclopentyl)quinoline-5-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-(3-hydroxycyclopentyl)quinoline-5-carboxylic acid
PubChem CID118556050
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name6-chloro-2-(3-hydroxycyclopentyl)quinoline-5-carboxylic acid
SMILESO=C(O)c1c(Cl)ccc2nc(C3CCC(O)C3)ccc12
InChIInChI=1S/C15H14ClNO3/c16-11-4-6-13-10(14(11)15(19)20)3-5-12(17-13)8-1-2-9(18)7-8/h3-6,8-9,18H,1-2,7H2,(H,19,20)
InChIKeyPICZPCHNVCEDTB-UHFFFAOYSA-N
XLogP3.21
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3-hydroxycyclopentyl)quinoline-5-carboxylic acid?
The IUPAC name of 6-chloro-2-(3-hydroxycyclopentyl)quinoline-5-carboxylic acid (CID 118556050) is 6-chloro-2-(3-hydroxycyclopentyl)quinoline-5-carboxylic acid.
What is the SMILES notation for 6-chloro-2-(3-hydroxycyclopentyl)quinoline-5-carboxylic acid?
The canonical SMILES for 6-chloro-2-(3-hydroxycyclopentyl)quinoline-5-carboxylic acid is O=C(O)c1c(Cl)ccc2nc(C3CCC(O)C3)ccc12.
What is the InChIKey of 6-chloro-2-(3-hydroxycyclopentyl)quinoline-5-carboxylic acid?
The InChIKey is PICZPCHNVCEDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c16-11-4-6-13-10(14(11)15(19)20)3-5-12(17-13)8-1-2-9(18)7-8/h3-6,8-9,18H,1-2,7H2,(H,19,20).
What are the key properties of 6-chloro-2-(3-hydroxycyclopentyl)quinoline-5-carboxylic acid?
6-chloro-2-(3-hydroxycyclopentyl)quinoline-5-carboxylic acid has a molecular weight of 291.73 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3-hydroxycyclopentyl)quinoline-5-carboxylic acid is sourced from PubChem (CID 118556050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).