4-[2-(diethylamino)ethoxy]quinoline-3-carboximidamide

C16H22N4O — CID 61104595

IUPAC4-[2-(diethylamino)ethoxy]quinoline-3-carboximidamide
SMILES[H]/N=C(\N)c1cnc2ccccc2c1OCCN(CC)CC
InChIInChI=1S/C16H22N4O/c1-3-20(4-2)9-10-21-15-12-7-5-6-8-14(12)19-11-13(15)16(17)18/h5-8,11H,3-4,9-10H2,1-2H3,(H3,17,18)
InChIKeyFVTHQVMMHQXPIN-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.24
Rot. Bonds7

About 4-[2-(diethylamino)ethoxy]quinoline-3-carboximidamide

4-[2-(diethylamino)ethoxy]quinoline-3-carboximidamide (PubChem CID 61104595) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-[2-(diethylamino)ethoxy]quinoline-3-carboximidamide.

Molecular Properties

Compound Name4-[2-(diethylamino)ethoxy]quinoline-3-carboximidamide
PubChem CID61104595
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-[2-(diethylamino)ethoxy]quinoline-3-carboximidamide
SMILES[H]/N=C(\N)c1cnc2ccccc2c1OCCN(CC)CC
InChIInChI=1S/C16H22N4O/c1-3-20(4-2)9-10-21-15-12-7-5-6-8-14(12)19-11-13(15)16(17)18/h5-8,11H,3-4,9-10H2,1-2H3,(H3,17,18)
InChIKeyFVTHQVMMHQXPIN-UHFFFAOYSA-N
XLogP2.24
TPSA75.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-(2,2,2-trifluoroethoxy)quinoline-3-carboximidamide
CID 43669871
4-(1-ethylpyrazol-4-yl)oxyquinoline-3-carboximidamide
CID 116801498
4-[2-(diethylamino)ethoxy]quinoline-3-carbonitrile
CID 61103055
4-[methyl(pentyl)amino]quinoline-3-carboximidamide
CID 43669819
4-[butan-2-yl(methyl)amino]quinoline-3-carboximidamide
CID 43669816
4-[3-(dimethylamino)propyl-methylamino]quinoline-3-carboximidamide
CID 63694201
4-[3-(dimethylamino)propoxy]quinoline-3-carbothioamide
CID 61104811
4-[butyl(cyclopropyl)amino]quinoline-3-carboximidamide
CID 61441744
2-[2-(diethylamino)ethoxy]-5-fluorobenzenecarboximidamide
CID 55233706
2-[ethyl(2-methoxyethyl)amino]quinoline-4-carboximidamide
CID 63883578
4-(oxan-4-yloxy)quinoline-3-carboximidamide
CID 61287792
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]quinoline-3-carboximidamide
CID 107480189

Frequently Asked Questions

What is the IUPAC name of 4-[2-(diethylamino)ethoxy]quinoline-3-carboximidamide?
The IUPAC name of 4-[2-(diethylamino)ethoxy]quinoline-3-carboximidamide (CID 61104595) is 4-[2-(diethylamino)ethoxy]quinoline-3-carboximidamide.
What is the SMILES notation for 4-[2-(diethylamino)ethoxy]quinoline-3-carboximidamide?
The canonical SMILES for 4-[2-(diethylamino)ethoxy]quinoline-3-carboximidamide is [H]/N=C(\N)c1cnc2ccccc2c1OCCN(CC)CC.
What is the InChIKey of 4-[2-(diethylamino)ethoxy]quinoline-3-carboximidamide?
The InChIKey is FVTHQVMMHQXPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-20(4-2)9-10-21-15-12-7-5-6-8-14(12)19-11-13(15)16(17)18/h5-8,11H,3-4,9-10H2,1-2H3,(H3,17,18).
What are the key properties of 4-[2-(diethylamino)ethoxy]quinoline-3-carboximidamide?
4-[2-(diethylamino)ethoxy]quinoline-3-carboximidamide has a molecular weight of 286.38 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylamino)ethoxy]quinoline-3-carboximidamide is sourced from PubChem (CID 61104595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).