2-[3-(methoxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide

C16H20N4O — CID 64597728

IUPAC2-[3-(methoxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide
SMILES[H]/N=C(\N)c1cc2ccccc2nc1N1CCC(COC)C1
InChIInChI=1S/C16H20N4O/c1-21-10-11-6-7-20(9-11)16-13(15(17)18)8-12-4-2-3-5-14(12)19-16/h2-5,8,11H,6-7,9-10H2,1H3,(H3,17,18)
InChIKeyKHIGDDUBRLNOHI-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.99
Rot. Bonds4

About 2-[3-(methoxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide

2-[3-(methoxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide (PubChem CID 64597728) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide.

Molecular Properties

Compound Name2-[3-(methoxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide
PubChem CID64597728
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-[3-(methoxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide
SMILES[H]/N=C(\N)c1cc2ccccc2nc1N1CCC(COC)C1
InChIInChI=1S/C16H20N4O/c1-21-10-11-6-7-20(9-11)16-13(15(17)18)8-12-4-2-3-5-14(12)19-16/h2-5,8,11H,6-7,9-10H2,1H3,(H3,17,18)
InChIKeyKHIGDDUBRLNOHI-UHFFFAOYSA-N
XLogP1.99
TPSA75.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.99
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

2-[3-(methoxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid
CID 64599168
N'-hydroxy-2-[3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide
CID 115965334
3-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 64598339
2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]benzenecarboximidamide
CID 64599345
N'-hydroxy-2-(3-methoxypyrrolidin-1-yl)quinoline-3-carboximidamide
CID 103533970
3-bromo-4-[3-(methoxymethyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 82799530
6-methyl-2-(3-propylpyrrolidin-1-yl)pyridine-3-carboximidamide
CID 113417646
2-(2-cyclopropylethoxy)quinoline-3-carboximidamide
CID 106202032
[1-[3-(methoxymethyl)pyrrolidin-1-yl]isoquinolin-3-yl]methanol
CID 64599052
2-[1-(3-methylquinolin-2-yl)pyrrolidin-3-yl]ethanol
CID 115733660
1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]quinolin-3-yl]ethanone
CID 154608742
3,5-difluoro-4-[4-(methoxymethyl)piperidin-1-yl]benzenecarboximidamide
CID 81294206

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide?
The IUPAC name of 2-[3-(methoxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide (CID 64597728) is 2-[3-(methoxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide.
What is the SMILES notation for 2-[3-(methoxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide?
The canonical SMILES for 2-[3-(methoxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide is [H]/N=C(\N)c1cc2ccccc2nc1N1CCC(COC)C1.
What is the InChIKey of 2-[3-(methoxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide?
The InChIKey is KHIGDDUBRLNOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-21-10-11-6-7-20(9-11)16-13(15(17)18)8-12-4-2-3-5-14(12)19-16/h2-5,8,11H,6-7,9-10H2,1H3,(H3,17,18).
What are the key properties of 2-[3-(methoxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide?
2-[3-(methoxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide has a molecular weight of 284.36 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide is sourced from PubChem (CID 64597728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).