2-(diethylamino)-5-[(7-fluoroquinolin-4-yl)amino]hexanoic acid

C19H26FN3O2 — CID 69300672

IUPAC2-(diethylamino)-5-[(7-fluoroquinolin-4-yl)amino]hexanoic acid
SMILESCCN(CC)C(CCC(C)Nc1ccnc2cc(F)ccc12)C(=O)O
InChIInChI=1S/C19H26FN3O2/c1-4-23(5-2)18(19(24)25)9-6-13(3)22-16-10-11-21-17-12-14(20)7-8-15(16)17/h7-8,10-13,18H,4-6,9H2,1-3H3,(H,21,22)(H,24,25)
InChIKeyFGZIWWYJXJRIKO-UHFFFAOYSA-N
MW347.43 g/mol
LogP3.75
Rot. Bonds9

About 2-(diethylamino)-5-[(7-fluoroquinolin-4-yl)amino]hexanoic acid

2-(diethylamino)-5-[(7-fluoroquinolin-4-yl)amino]hexanoic acid (PubChem CID 69300672) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is 2-(diethylamino)-5-[(7-fluoroquinolin-4-yl)amino]hexanoic acid.

Molecular Properties

Compound Name2-(diethylamino)-5-[(7-fluoroquinolin-4-yl)amino]hexanoic acid
PubChem CID69300672
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name2-(diethylamino)-5-[(7-fluoroquinolin-4-yl)amino]hexanoic acid
SMILESCCN(CC)C(CCC(C)Nc1ccnc2cc(F)ccc12)C(=O)O
InChIInChI=1S/C19H26FN3O2/c1-4-23(5-2)18(19(24)25)9-6-13(3)22-16-10-11-21-17-12-14(20)7-8-15(16)17/h7-8,10-13,18H,4-6,9H2,1-3H3,(H,21,22)(H,24,25)
InChIKeyFGZIWWYJXJRIKO-UHFFFAOYSA-N
XLogP3.75
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-5-[(7-fluoroquinolin-4-yl)amino]hexanoic acid?
The IUPAC name of 2-(diethylamino)-5-[(7-fluoroquinolin-4-yl)amino]hexanoic acid (CID 69300672) is 2-(diethylamino)-5-[(7-fluoroquinolin-4-yl)amino]hexanoic acid.
What is the SMILES notation for 2-(diethylamino)-5-[(7-fluoroquinolin-4-yl)amino]hexanoic acid?
The canonical SMILES for 2-(diethylamino)-5-[(7-fluoroquinolin-4-yl)amino]hexanoic acid is CCN(CC)C(CCC(C)Nc1ccnc2cc(F)ccc12)C(=O)O.
What is the InChIKey of 2-(diethylamino)-5-[(7-fluoroquinolin-4-yl)amino]hexanoic acid?
The InChIKey is FGZIWWYJXJRIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-4-23(5-2)18(19(24)25)9-6-13(3)22-16-10-11-21-17-12-14(20)7-8-15(16)17/h7-8,10-13,18H,4-6,9H2,1-3H3,(H,21,22)(H,24,25).
What are the key properties of 2-(diethylamino)-5-[(7-fluoroquinolin-4-yl)amino]hexanoic acid?
2-(diethylamino)-5-[(7-fluoroquinolin-4-yl)amino]hexanoic acid has a molecular weight of 347.43 g/mol, XLogP of 3.75, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-5-[(7-fluoroquinolin-4-yl)amino]hexanoic acid is sourced from PubChem (CID 69300672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).