N'-hydroxy-1-(quinolin-6-ylmethyl)pyrrolidine-2-carboximidamide

C15H18N4O — CID 77036107

IUPACN'-hydroxy-1-(quinolin-6-ylmethyl)pyrrolidine-2-carboximidamide
SMILESNC(=NO)C1CCCN1Cc1ccc2ncccc2c1
InChIInChI=1S/C15H18N4O/c16-15(18-20)14-4-2-8-19(14)10-11-5-6-13-12(9-11)3-1-7-17-13/h1,3,5-7,9,14,20H,2,4,8,10H2,(H2,16,18)
InChIKeySYYGVCXLLLVSNO-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.95
Rot. Bonds3

About N'-hydroxy-1-(quinolin-6-ylmethyl)pyrrolidine-2-carboximidamide

N'-hydroxy-1-(quinolin-6-ylmethyl)pyrrolidine-2-carboximidamide (PubChem CID 77036107) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N'-hydroxy-1-(quinolin-6-ylmethyl)pyrrolidine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(quinolin-6-ylmethyl)pyrrolidine-2-carboximidamide
PubChem CID77036107
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN'-hydroxy-1-(quinolin-6-ylmethyl)pyrrolidine-2-carboximidamide
SMILESNC(=NO)C1CCCN1Cc1ccc2ncccc2c1
InChIInChI=1S/C15H18N4O/c16-15(18-20)14-4-2-8-19(14)10-11-5-6-13-12(9-11)3-1-7-17-13/h1,3,5-7,9,14,20H,2,4,8,10H2,(H2,16,18)
InChIKeySYYGVCXLLLVSNO-UHFFFAOYSA-N
XLogP1.95
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.95
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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Related Compounds

N'-hydroxy-1-(quinolin-6-ylmethyl)piperidine-2-carboximidamide
CID 77036050
[1-(quinolin-6-ylmethyl)piperidin-2-yl]methanamine
CID 43209671
3-[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]propan-1-ol
CID 62469231
6-[[2-(bromomethyl)piperidin-1-yl]methyl]quinoline
CID 80673665
2-[1-(quinolin-6-ylmethyl)piperidin-2-yl]acetic acid
CID 61010277
N-[[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62581089
6-[[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]quinoline
CID 124986639
N'-hydroxy-4-(quinolin-6-ylmethyl)morpholine-2-carboximidamide
CID 79670544
N'-hydroxy-1-(pyridin-3-ylmethyl)piperidine-2-carboximidamide
CID 77041710
1-[(3,4-dimethylphenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide
CID 77041448
1-[(3-chlorophenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide
CID 77041337
N'-hydroxy-1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboximidamide
CID 112650471

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(quinolin-6-ylmethyl)pyrrolidine-2-carboximidamide?
The IUPAC name of N'-hydroxy-1-(quinolin-6-ylmethyl)pyrrolidine-2-carboximidamide (CID 77036107) is N'-hydroxy-1-(quinolin-6-ylmethyl)pyrrolidine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(quinolin-6-ylmethyl)pyrrolidine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(quinolin-6-ylmethyl)pyrrolidine-2-carboximidamide is NC(=NO)C1CCCN1Cc1ccc2ncccc2c1.
What is the InChIKey of N'-hydroxy-1-(quinolin-6-ylmethyl)pyrrolidine-2-carboximidamide?
The InChIKey is SYYGVCXLLLVSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c16-15(18-20)14-4-2-8-19(14)10-11-5-6-13-12(9-11)3-1-7-17-13/h1,3,5-7,9,14,20H,2,4,8,10H2,(H2,16,18).
What are the key properties of N'-hydroxy-1-(quinolin-6-ylmethyl)pyrrolidine-2-carboximidamide?
N'-hydroxy-1-(quinolin-6-ylmethyl)pyrrolidine-2-carboximidamide has a molecular weight of 270.34 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(quinolin-6-ylmethyl)pyrrolidine-2-carboximidamide is sourced from PubChem (CID 77036107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).