6,7-diethoxy-N-(4-fluorophenyl)quinolin-4-amine

C19H19FN2O2 — CID 50877941

IUPAC6,7-diethoxy-N-(4-fluorophenyl)quinolin-4-amine
SMILESCCOc1cc2nccc(Nc3ccc(F)cc3)c2cc1OCC
InChIInChI=1S/C19H19FN2O2/c1-3-23-18-11-15-16(22-14-7-5-13(20)6-8-14)9-10-21-17(15)12-19(18)24-4-2/h5-12H,3-4H2,1-2H3,(H,21,22)
InChIKeyJREMVMCFSAVIMB-UHFFFAOYSA-N
MW326.37 g/mol
LogP4.91
Rot. Bonds6

About 6,7-diethoxy-N-(4-fluorophenyl)quinolin-4-amine

6,7-diethoxy-N-(4-fluorophenyl)quinolin-4-amine (PubChem CID 50877941) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 6,7-diethoxy-N-(4-fluorophenyl)quinolin-4-amine.

Molecular Properties

Compound Name6,7-diethoxy-N-(4-fluorophenyl)quinolin-4-amine
PubChem CID50877941
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name6,7-diethoxy-N-(4-fluorophenyl)quinolin-4-amine
SMILESCCOc1cc2nccc(Nc3ccc(F)cc3)c2cc1OCC
InChIInChI=1S/C19H19FN2O2/c1-3-23-18-11-15-16(22-14-7-5-13(20)6-8-14)9-10-21-17(15)12-19(18)24-4-2/h5-12H,3-4H2,1-2H3,(H,21,22)
InChIKeyJREMVMCFSAVIMB-UHFFFAOYSA-N
XLogP4.91
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-diethoxy-N-(4-fluorophenyl)quinolin-4-amine?
The IUPAC name of 6,7-diethoxy-N-(4-fluorophenyl)quinolin-4-amine (CID 50877941) is 6,7-diethoxy-N-(4-fluorophenyl)quinolin-4-amine.
What is the SMILES notation for 6,7-diethoxy-N-(4-fluorophenyl)quinolin-4-amine?
The canonical SMILES for 6,7-diethoxy-N-(4-fluorophenyl)quinolin-4-amine is CCOc1cc2nccc(Nc3ccc(F)cc3)c2cc1OCC.
What is the InChIKey of 6,7-diethoxy-N-(4-fluorophenyl)quinolin-4-amine?
The InChIKey is JREMVMCFSAVIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-3-23-18-11-15-16(22-14-7-5-13(20)6-8-14)9-10-21-17(15)12-19(18)24-4-2/h5-12H,3-4H2,1-2H3,(H,21,22).
What are the key properties of 6,7-diethoxy-N-(4-fluorophenyl)quinolin-4-amine?
6,7-diethoxy-N-(4-fluorophenyl)quinolin-4-amine has a molecular weight of 326.37 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diethoxy-N-(4-fluorophenyl)quinolin-4-amine is sourced from PubChem (CID 50877941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).