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

C14H16N4O3 — CID 106669720

IUPAC4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxyquinoline-3-carboximidamide
SMILESN/C(=N/O)c1cnc2ccccc2c1N1CC(O)C(O)C1
InChIInChI=1S/C14H16N4O3/c15-14(17-21)9-5-16-10-4-2-1-3-8(10)13(9)18-6-11(19)12(20)7-18/h1-5,11-12,19-21H,6-7H2,(H2,15,17)
InChIKeyHKOYDLZPGBKVBT-UHFFFAOYSA-N
MW288.31 g/mol
LogP-0.13
Rot. Bonds2

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

4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxyquinoline-3-carboximidamide (PubChem CID 106669720) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxyquinoline-3-carboximidamide.

Molecular Properties

Compound Name4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxyquinoline-3-carboximidamide
PubChem CID106669720
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxyquinoline-3-carboximidamide
SMILESN/C(=N/O)c1cnc2ccccc2c1N1CC(O)C(O)C1
InChIInChI=1S/C14H16N4O3/c15-14(17-21)9-5-16-10-4-2-1-3-8(10)13(9)18-6-11(19)12(20)7-18/h1-5,11-12,19-21H,6-7H2,(H2,15,17)
InChIKeyHKOYDLZPGBKVBT-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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Related Compounds

2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxyquinoline-4-carboximidamide
CID 136766529
N'-hydroxy-4-methoxyquinoline-3-carboximidamide
CID 43669877
2-[1-(3-carbamoylquinolin-4-yl)azetidin-3-yl]acetic acid
CID 64617657
1-(3-nitroquinolin-4-yl)pyrrolidine-3,4-diol
CID 106673427
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]quinoline-3-carboximidamide
CID 104958895
4-(azepan-1-yl)quinoline-3-carbothioamide
CID 43669568
4-(azocan-1-yl)quinoline-3-carbothioamide
CID 43669619
ethyl 4-[(3aR,5S,6S,7aS)-5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]quinoline-3-carboxylate
CID 56861128
4-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxyquinoline-3-carboximidamide
CID 77017337
N'-hydroxy-4-(3-hydroxypropoxy)quinoline-3-carboximidamide
CID 43669918
4-[butan-2-yl(methyl)amino]-N'-hydroxyquinoline-3-carboximidamide
CID 43669797
4-thiomorpholin-4-ylquinoline-3-carbothioamide
CID 43669618

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxyquinoline-3-carboximidamide?
The IUPAC name of 4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxyquinoline-3-carboximidamide (CID 106669720) is 4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxyquinoline-3-carboximidamide.
What is the SMILES notation for 4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxyquinoline-3-carboximidamide?
The canonical SMILES for 4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxyquinoline-3-carboximidamide is N/C(=N/O)c1cnc2ccccc2c1N1CC(O)C(O)C1.
What is the InChIKey of 4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxyquinoline-3-carboximidamide?
The InChIKey is HKOYDLZPGBKVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c15-14(17-21)9-5-16-10-4-2-1-3-8(10)13(9)18-6-11(19)12(20)7-18/h1-5,11-12,19-21H,6-7H2,(H2,15,17).
What are the key properties of 4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxyquinoline-3-carboximidamide?
4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxyquinoline-3-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 4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxyquinoline-3-carboximidamide is sourced from PubChem (CID 106669720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).