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Glafenine

C19H17ClN2O4 — CID 3474

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2,3-dihydroxypropyl 2-[(7-chloroquinolin-4-yl)amino]benzoate
SMILESO=C(OCC(O)CO)c1ccccc1Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C19H17ClN2O4/c20-12-5-6-14-17(7-8-21-18(14)9-12)22-16-4-2-1-3-15(16)19(25)26-11-13(24)10-23/h1-9,13,23-24H,10-11H2,(H,21,22)
InChIKeyGWOFUCIGLDBNKM-UHFFFAOYSA-N
MW372.81 g/mol
LogP3.14
Rot. Bonds6

About Glafenine

Glafenine (PubChem CID 3474) has the molecular formula C19H17ClN2O4 and a molecular weight of 372.81 g/mol. Its IUPAC name is 2,3-dihydroxypropyl 2-[(7-chloroquinolin-4-yl)amino]benzoate.

Molecular Properties

Compound NameGlafenine
PubChem CID3474
Molecular FormulaC19H17ClN2O4
Molecular Weight372.81 g/mol
Exact Mass372.09
IUPAC Name2,3-dihydroxypropyl 2-[(7-chloroquinolin-4-yl)amino]benzoate
SMILESO=C(OCC(O)CO)c1ccccc1Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C19H17ClN2O4/c20-12-5-6-14-17(7-8-21-18(14)9-12)22-16-4-2-1-3-15(16)19(25)26-11-13(24)10-23/h1-9,13,23-24H,10-11H2,(H,21,22)
InChIKeyGWOFUCIGLDBNKM-UHFFFAOYSA-N
XLogP3.14
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Floctafenine
CID 3360
Glafenine hydrochloride
CID 3085326
Ethyl 4-(2-methylanilino)quinoline-3-carboxylate;hydrochloride
CID 13038515
4-[(7-Chloroquinolin-4-yl)amino]benzoic acid
CID 686283
Benzoic acid, 2-((8-(trifluoromethyl)-4-quinolinyl)amino)-, 2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl ester
CID 3043262
Ethyl 4-[(3-acetylphenyl)amino]-8-chloroquinoline-3-carboxylate
CID 1181320
Ethyl 7-chloro-8-methyl-4-[(2-phenylethyl)amino]quinoline-3-carboxylate
CID 1183959
3-{[3-(Ethoxycarbonyl)quinolin-4-yl]amino}benzoic acid
CID 2791584
2-[(7-chloroquinolin-4-yl)amino]ethyl (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoate
CID 71764579
2-[(7-chloroquinolin-4-yl)amino]ethyl (2R,3S)-2-acetyloxy-3-benzamido-3-phenylpropanoate
CID 71764580

Frequently Asked Questions

What is the IUPAC name of Glafenine?
The IUPAC name of Glafenine (CID 3474) is 2,3-dihydroxypropyl 2-[(7-chloroquinolin-4-yl)amino]benzoate.
What is the SMILES notation for Glafenine?
The canonical SMILES for Glafenine is O=C(OCC(O)CO)c1ccccc1Nc1ccnc2cc(Cl)ccc12.
What is the InChIKey of Glafenine?
The InChIKey is GWOFUCIGLDBNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4/c20-12-5-6-14-17(7-8-21-18(14)9-12)22-16-4-2-1-3-15(16)19(25)26-11-13(24)10-23/h1-9,13,23-24H,10-11H2,(H,21,22).
What are the key properties of Glafenine?
Glafenine has a molecular weight of 372.81 g/mol, XLogP of 3.14, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Glafenine is sourced from PubChem (CID 3474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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