ethyl 4-(benzylamino)-6-fluoroquinoline-3-carboxylate

C19H17FN2O2 — CID 732002

IUPACethyl 4-(benzylamino)-6-fluoroquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(F)cc2c1NCc1ccccc1
InChIInChI=1S/C19H17FN2O2/c1-2-24-19(23)16-12-21-17-9-8-14(20)10-15(17)18(16)22-11-13-6-4-3-5-7-13/h3-10,12H,2,11H2,1H3,(H,21,22)
InChIKeyPNIUFXDTWJHZQD-UHFFFAOYSA-N
MW324.36 g/mol
LogP4.16
Rot. Bonds5

About ethyl 4-(benzylamino)-6-fluoroquinoline-3-carboxylate

ethyl 4-(benzylamino)-6-fluoroquinoline-3-carboxylate (PubChem CID 732002) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is ethyl 4-(benzylamino)-6-fluoroquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(benzylamino)-6-fluoroquinoline-3-carboxylate
PubChem CID732002
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Nameethyl 4-(benzylamino)-6-fluoroquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(F)cc2c1NCc1ccccc1
InChIInChI=1S/C19H17FN2O2/c1-2-24-19(23)16-12-21-17-9-8-14(20)10-15(17)18(16)22-11-13-6-4-3-5-7-13/h3-10,12H,2,11H2,1H3,(H,21,22)
InChIKeyPNIUFXDTWJHZQD-UHFFFAOYSA-N
XLogP4.16
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-(benzylamino)-6-fluoroquinoline-3-carboxylate 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 ethyl 4-(benzylamino)-6-fluoroquinoline-3-carboxylate?
The IUPAC name of ethyl 4-(benzylamino)-6-fluoroquinoline-3-carboxylate (CID 732002) is ethyl 4-(benzylamino)-6-fluoroquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-(benzylamino)-6-fluoroquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-(benzylamino)-6-fluoroquinoline-3-carboxylate is CCOC(=O)c1cnc2ccc(F)cc2c1NCc1ccccc1.
What is the InChIKey of ethyl 4-(benzylamino)-6-fluoroquinoline-3-carboxylate?
The InChIKey is PNIUFXDTWJHZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-2-24-19(23)16-12-21-17-9-8-14(20)10-15(17)18(16)22-11-13-6-4-3-5-7-13/h3-10,12H,2,11H2,1H3,(H,21,22).
What are the key properties of ethyl 4-(benzylamino)-6-fluoroquinoline-3-carboxylate?
ethyl 4-(benzylamino)-6-fluoroquinoline-3-carboxylate has a molecular weight of 324.36 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(benzylamino)-6-fluoroquinoline-3-carboxylate is sourced from PubChem (CID 732002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).