2-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxyquinoline-3-carboximidamide

C16H20N4O — CID 77034276

IUPAC2-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxyquinoline-3-carboximidamide
SMILESCC1(C)CCCN1c1nc2ccccc2cc1C(N)=NO
InChIInChI=1S/C16H20N4O/c1-16(2)8-5-9-20(16)15-12(14(17)19-21)10-11-6-3-4-7-13(11)18-15/h3-4,6-7,10,21H,5,8-9H2,1-2H3,(H2,17,19)
InChIKeyDMEYHSJRMUTHQO-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.71
Rot. Bonds2

About 2-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxyquinoline-3-carboximidamide

2-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxyquinoline-3-carboximidamide (PubChem CID 77034276) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxyquinoline-3-carboximidamide.

Molecular Properties

Compound Name2-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxyquinoline-3-carboximidamide
PubChem CID77034276
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxyquinoline-3-carboximidamide
SMILESCC1(C)CCCN1c1nc2ccccc2cc1C(N)=NO
InChIInChI=1S/C16H20N4O/c1-16(2)8-5-9-20(16)15-12(14(17)19-21)10-11-6-3-4-7-13(11)18-15/h3-4,6-7,10,21H,5,8-9H2,1-2H3,(H2,17,19)
InChIKeyDMEYHSJRMUTHQO-UHFFFAOYSA-N
XLogP2.71
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.71
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxyquinoline-3-carboximidamide?
The IUPAC name of 2-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxyquinoline-3-carboximidamide (CID 77034276) is 2-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxyquinoline-3-carboximidamide.
What is the SMILES notation for 2-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxyquinoline-3-carboximidamide?
The canonical SMILES for 2-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxyquinoline-3-carboximidamide is CC1(C)CCCN1c1nc2ccccc2cc1C(N)=NO.
What is the InChIKey of 2-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxyquinoline-3-carboximidamide?
The InChIKey is DMEYHSJRMUTHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-16(2)8-5-9-20(16)15-12(14(17)19-21)10-11-6-3-4-7-13(11)18-15/h3-4,6-7,10,21H,5,8-9H2,1-2H3,(H2,17,19).
What are the key properties of 2-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxyquinoline-3-carboximidamide?
2-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxyquinoline-3-carboximidamide has a molecular weight of 284.36 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxyquinoline-3-carboximidamide is sourced from PubChem (CID 77034276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).