4-[(6-hydroxy-2-methylquinolin-4-yl)amino]benzoic acid;hydrochloride

C17H15ClN2O3 — CID 16876467

IUPAC4-[(6-hydroxy-2-methylquinolin-4-yl)amino]benzoic acid;hydrochloride
SMILESCc1cc(Nc2ccc(C(=O)O)cc2)c2cc(O)ccc2n1.Cl
InChIInChI=1S/C17H14N2O3.ClH/c1-10-8-16(14-9-13(20)6-7-15(14)18-10)19-12-4-2-11(3-5-12)17(21)22;/h2-9,20H,1H3,(H,18,19)(H,21,22);1H
InChIKeyPPSFIVIBFLILCY-UHFFFAOYSA-N
MW330.77 g/mol
LogP4.11
Rot. Bonds3

About 4-[(6-hydroxy-2-methylquinolin-4-yl)amino]benzoic acid;hydrochloride

4-[(6-hydroxy-2-methylquinolin-4-yl)amino]benzoic acid;hydrochloride (PubChem CID 16876467) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is 4-[(6-hydroxy-2-methylquinolin-4-yl)amino]benzoic acid;hydrochloride.

Molecular Properties

Compound Name4-[(6-hydroxy-2-methylquinolin-4-yl)amino]benzoic acid;hydrochloride
PubChem CID16876467
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC Name4-[(6-hydroxy-2-methylquinolin-4-yl)amino]benzoic acid;hydrochloride
SMILESCc1cc(Nc2ccc(C(=O)O)cc2)c2cc(O)ccc2n1.Cl
InChIInChI=1S/C17H14N2O3.ClH/c1-10-8-16(14-9-13(20)6-7-15(14)18-10)19-12-4-2-11(3-5-12)17(21)22;/h2-9,20H,1H3,(H,18,19)(H,21,22);1H
InChIKeyPPSFIVIBFLILCY-UHFFFAOYSA-N
XLogP4.11
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-hydroxy-2-methylquinolin-4-yl)amino]benzoic acid;hydrochloride?
The IUPAC name of 4-[(6-hydroxy-2-methylquinolin-4-yl)amino]benzoic acid;hydrochloride (CID 16876467) is 4-[(6-hydroxy-2-methylquinolin-4-yl)amino]benzoic acid;hydrochloride.
What is the SMILES notation for 4-[(6-hydroxy-2-methylquinolin-4-yl)amino]benzoic acid;hydrochloride?
The canonical SMILES for 4-[(6-hydroxy-2-methylquinolin-4-yl)amino]benzoic acid;hydrochloride is Cc1cc(Nc2ccc(C(=O)O)cc2)c2cc(O)ccc2n1.Cl.
What is the InChIKey of 4-[(6-hydroxy-2-methylquinolin-4-yl)amino]benzoic acid;hydrochloride?
The InChIKey is PPSFIVIBFLILCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3.ClH/c1-10-8-16(14-9-13(20)6-7-15(14)18-10)19-12-4-2-11(3-5-12)17(21)22;/h2-9,20H,1H3,(H,18,19)(H,21,22);1H.
What are the key properties of 4-[(6-hydroxy-2-methylquinolin-4-yl)amino]benzoic acid;hydrochloride?
4-[(6-hydroxy-2-methylquinolin-4-yl)amino]benzoic acid;hydrochloride has a molecular weight of 330.77 g/mol, XLogP of 4.11, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-hydroxy-2-methylquinolin-4-yl)amino]benzoic acid;hydrochloride is sourced from PubChem (CID 16876467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).