6-chloro-4-(pyridin-3-ylmethylamino)quinoline-3-carboxylic acid;hydrochloride

C16H13Cl2N3O2 — CID 20982491

IUPAC6-chloro-4-(pyridin-3-ylmethylamino)quinoline-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cnc2ccc(Cl)cc2c1NCc1cccnc1
InChIInChI=1S/C16H12ClN3O2.ClH/c17-11-3-4-14-12(6-11)15(13(9-19-14)16(21)22)20-8-10-2-1-5-18-7-10;/h1-7,9H,8H2,(H,19,20)(H,21,22);1H
InChIKeyCMEDNDPIJDVMNI-UHFFFAOYSA-N
MW350.21 g/mol
LogP4.02
Rot. Bonds4

About 6-chloro-4-(pyridin-3-ylmethylamino)quinoline-3-carboxylic acid;hydrochloride

6-chloro-4-(pyridin-3-ylmethylamino)quinoline-3-carboxylic acid;hydrochloride (PubChem CID 20982491) has the molecular formula C16H13Cl2N3O2 and a molecular weight of 350.21 g/mol. Its IUPAC name is 6-chloro-4-(pyridin-3-ylmethylamino)quinoline-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name6-chloro-4-(pyridin-3-ylmethylamino)quinoline-3-carboxylic acid;hydrochloride
PubChem CID20982491
Molecular FormulaC16H13Cl2N3O2
Molecular Weight350.21 g/mol
Exact Mass349.04
IUPAC Name6-chloro-4-(pyridin-3-ylmethylamino)quinoline-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cnc2ccc(Cl)cc2c1NCc1cccnc1
InChIInChI=1S/C16H12ClN3O2.ClH/c17-11-3-4-14-12(6-11)15(13(9-19-14)16(21)22)20-8-10-2-1-5-18-7-10;/h1-7,9H,8H2,(H,19,20)(H,21,22);1H
InChIKeyCMEDNDPIJDVMNI-UHFFFAOYSA-N
XLogP4.02
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-chloro-4-(pyridin-3-ylmethylamino)quinoline-3-carboxylic acid;hydrochloride 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-4-(pyridin-3-ylmethylamino)quinoline-3-carboxylic acid;hydrochloride?
The IUPAC name of 6-chloro-4-(pyridin-3-ylmethylamino)quinoline-3-carboxylic acid;hydrochloride (CID 20982491) is 6-chloro-4-(pyridin-3-ylmethylamino)quinoline-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 6-chloro-4-(pyridin-3-ylmethylamino)quinoline-3-carboxylic acid;hydrochloride?
The canonical SMILES for 6-chloro-4-(pyridin-3-ylmethylamino)quinoline-3-carboxylic acid;hydrochloride is Cl.O=C(O)c1cnc2ccc(Cl)cc2c1NCc1cccnc1.
What is the InChIKey of 6-chloro-4-(pyridin-3-ylmethylamino)quinoline-3-carboxylic acid;hydrochloride?
The InChIKey is CMEDNDPIJDVMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2.ClH/c17-11-3-4-14-12(6-11)15(13(9-19-14)16(21)22)20-8-10-2-1-5-18-7-10;/h1-7,9H,8H2,(H,19,20)(H,21,22);1H.
What are the key properties of 6-chloro-4-(pyridin-3-ylmethylamino)quinoline-3-carboxylic acid;hydrochloride?
6-chloro-4-(pyridin-3-ylmethylamino)quinoline-3-carboxylic acid;hydrochloride has a molecular weight of 350.21 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(pyridin-3-ylmethylamino)quinoline-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 20982491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).