6-chloro-2-[(3S)-3-(2-hydroxypropyl)pyrrolidin-1-yl]quinoline-5-carboxylic acid

C17H19ClN2O3 — CID 118559729

IUPAC6-chloro-2-[(3S)-3-(2-hydroxypropyl)pyrrolidin-1-yl]quinoline-5-carboxylic acid
SMILESCC(O)C[C@@H]1CCN(c2ccc3c(C(=O)O)c(Cl)ccc3n2)C1
InChIInChI=1S/C17H19ClN2O3/c1-10(21)8-11-6-7-20(9-11)15-5-2-12-14(19-15)4-3-13(18)16(12)17(22)23/h2-5,10-11,21H,6-9H2,1H3,(H,22,23)/t10?,11-/m0/s1
InChIKeyZKSVAUJMQKJCCF-DTIOYNMSSA-N
MW334.80 g/mol
LogP3.18
Rot. Bonds4

About 6-chloro-2-[(3S)-3-(2-hydroxypropyl)pyrrolidin-1-yl]quinoline-5-carboxylic acid

6-chloro-2-[(3S)-3-(2-hydroxypropyl)pyrrolidin-1-yl]quinoline-5-carboxylic acid (PubChem CID 118559729) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is 6-chloro-2-[(3S)-3-(2-hydroxypropyl)pyrrolidin-1-yl]quinoline-5-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-[(3S)-3-(2-hydroxypropyl)pyrrolidin-1-yl]quinoline-5-carboxylic acid
PubChem CID118559729
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name6-chloro-2-[(3S)-3-(2-hydroxypropyl)pyrrolidin-1-yl]quinoline-5-carboxylic acid
SMILESCC(O)C[C@@H]1CCN(c2ccc3c(C(=O)O)c(Cl)ccc3n2)C1
InChIInChI=1S/C17H19ClN2O3/c1-10(21)8-11-6-7-20(9-11)15-5-2-12-14(19-15)4-3-13(18)16(12)17(22)23/h2-5,10-11,21H,6-9H2,1H3,(H,22,23)/t10?,11-/m0/s1
InChIKeyZKSVAUJMQKJCCF-DTIOYNMSSA-N
XLogP3.18
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-chloro-2-[(3S)-3-(2-hydroxypropyl)pyrrolidin-1-yl]quinoline-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(3S)-3-(2-hydroxypropyl)pyrrolidin-1-yl]quinoline-5-carboxylic acid?
The IUPAC name of 6-chloro-2-[(3S)-3-(2-hydroxypropyl)pyrrolidin-1-yl]quinoline-5-carboxylic acid (CID 118559729) is 6-chloro-2-[(3S)-3-(2-hydroxypropyl)pyrrolidin-1-yl]quinoline-5-carboxylic acid.
What is the SMILES notation for 6-chloro-2-[(3S)-3-(2-hydroxypropyl)pyrrolidin-1-yl]quinoline-5-carboxylic acid?
The canonical SMILES for 6-chloro-2-[(3S)-3-(2-hydroxypropyl)pyrrolidin-1-yl]quinoline-5-carboxylic acid is CC(O)C[C@@H]1CCN(c2ccc3c(C(=O)O)c(Cl)ccc3n2)C1.
What is the InChIKey of 6-chloro-2-[(3S)-3-(2-hydroxypropyl)pyrrolidin-1-yl]quinoline-5-carboxylic acid?
The InChIKey is ZKSVAUJMQKJCCF-DTIOYNMSSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-10(21)8-11-6-7-20(9-11)15-5-2-12-14(19-15)4-3-13(18)16(12)17(22)23/h2-5,10-11,21H,6-9H2,1H3,(H,22,23)/t10?,11-/m0/s1.
What are the key properties of 6-chloro-2-[(3S)-3-(2-hydroxypropyl)pyrrolidin-1-yl]quinoline-5-carboxylic acid?
6-chloro-2-[(3S)-3-(2-hydroxypropyl)pyrrolidin-1-yl]quinoline-5-carboxylic acid has a molecular weight of 334.80 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(3S)-3-(2-hydroxypropyl)pyrrolidin-1-yl]quinoline-5-carboxylic acid is sourced from PubChem (CID 118559729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).