2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxyquinoline-4-carboximidamide

C14H16N4O3 — CID 136766529

IUPAC2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxyquinoline-4-carboximidamide
SMILESN/C(=N/O)c1cc(N2CC(O)C(O)C2)nc2ccccc12
InChIInChI=1S/C14H16N4O3/c15-14(17-21)9-5-13(18-6-11(19)12(20)7-18)16-10-4-2-1-3-8(9)10/h1-5,11-12,19-21H,6-7H2,(H2,15,17)
InChIKeyVYFFLBDJKCQQPK-UHFFFAOYSA-N
MW288.31 g/mol
LogP-0.13
Rot. Bonds2

About 2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxyquinoline-4-carboximidamide

2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxyquinoline-4-carboximidamide (PubChem CID 136766529) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxyquinoline-4-carboximidamide.

Molecular Properties

Compound Name2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxyquinoline-4-carboximidamide
PubChem CID136766529
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxyquinoline-4-carboximidamide
SMILESN/C(=N/O)c1cc(N2CC(O)C(O)C2)nc2ccccc12
InChIInChI=1S/C14H16N4O3/c15-14(17-21)9-5-13(18-6-11(19)12(20)7-18)16-10-4-2-1-3-8(9)10/h1-5,11-12,19-21H,6-7H2,(H2,15,17)
InChIKeyVYFFLBDJKCQQPK-UHFFFAOYSA-N
XLogP-0.13
TPSA115.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 5-0.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxyquinoline-4-carboximidamide?
The IUPAC name of 2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxyquinoline-4-carboximidamide (CID 136766529) is 2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxyquinoline-4-carboximidamide.
What is the SMILES notation for 2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxyquinoline-4-carboximidamide?
The canonical SMILES for 2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxyquinoline-4-carboximidamide is N/C(=N/O)c1cc(N2CC(O)C(O)C2)nc2ccccc12.
What is the InChIKey of 2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxyquinoline-4-carboximidamide?
The InChIKey is VYFFLBDJKCQQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c15-14(17-21)9-5-13(18-6-11(19)12(20)7-18)16-10-4-2-1-3-8(9)10/h1-5,11-12,19-21H,6-7H2,(H2,15,17).
What are the key properties of 2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxyquinoline-4-carboximidamide?
2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxyquinoline-4-carboximidamide has a molecular weight of 288.31 g/mol, XLogP of -0.13, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxyquinoline-4-carboximidamide is sourced from PubChem (CID 136766529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).