N'-(quinolin-6-ylmethyl)azetidine-1-carboximidamide

C14H16N4 — CID 122095761

IUPACN'-(quinolin-6-ylmethyl)azetidine-1-carboximidamide
SMILESN/C(=N\Cc1ccc2ncccc2c1)N1CCC1
InChIInChI=1S/C14H16N4/c15-14(18-7-2-8-18)17-10-11-4-5-13-12(9-11)3-1-6-16-13/h1,3-6,9H,2,7-8,10H2,(H2,15,17)
InChIKeyXPLKNFURNSBGOX-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.76
Rot. Bonds2

About N'-(quinolin-6-ylmethyl)azetidine-1-carboximidamide

N'-(quinolin-6-ylmethyl)azetidine-1-carboximidamide (PubChem CID 122095761) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is N'-(quinolin-6-ylmethyl)azetidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(quinolin-6-ylmethyl)azetidine-1-carboximidamide
PubChem CID122095761
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC NameN'-(quinolin-6-ylmethyl)azetidine-1-carboximidamide
SMILESN/C(=N\Cc1ccc2ncccc2c1)N1CCC1
InChIInChI=1S/C14H16N4/c15-14(18-7-2-8-18)17-10-11-4-5-13-12(9-11)3-1-6-16-13/h1,3-6,9H,2,7-8,10H2,(H2,15,17)
InChIKeyXPLKNFURNSBGOX-UHFFFAOYSA-N
XLogP1.76
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide;hydroiodide
CID 111023397
N'-hydroxy-1-(quinolin-6-ylmethyl)pyrrolidine-2-carboximidamide
CID 77036107
N'-hydroxy-1-(quinolin-6-ylmethyl)piperidine-2-carboximidamide
CID 77036050
N'-[(3-chloro-4-ethoxyphenyl)methyl]azetidine-1-carboximidamide
CID 122096001
[1-(quinolin-6-ylmethyl)cyclopropyl]methanamine
CID 116997369
N'-[(6-chloro-3-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111041986
N'-[(3-chloro-4-fluorophenyl)methyl]piperidine-1-carboximidamide
CID 111045730
4-(2-quinolin-6-ylethyl)piperazine-1-carboxylic acid
CID 118666820
(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-ol
CID 79031483
N'-[(3-fluoro-4-hydroxyphenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 75468371
N'-hydroxy-4-(quinolin-6-ylmethyl)morpholine-2-carboximidamide
CID 79670544
1-[4-(cyclobutylamino)piperidin-1-yl]-2-quinolin-6-ylethanone
CID 154867921

Frequently Asked Questions

What is the IUPAC name of N'-(quinolin-6-ylmethyl)azetidine-1-carboximidamide?
The IUPAC name of N'-(quinolin-6-ylmethyl)azetidine-1-carboximidamide (CID 122095761) is N'-(quinolin-6-ylmethyl)azetidine-1-carboximidamide.
What is the SMILES notation for N'-(quinolin-6-ylmethyl)azetidine-1-carboximidamide?
The canonical SMILES for N'-(quinolin-6-ylmethyl)azetidine-1-carboximidamide is N/C(=N\Cc1ccc2ncccc2c1)N1CCC1.
What is the InChIKey of N'-(quinolin-6-ylmethyl)azetidine-1-carboximidamide?
The InChIKey is XPLKNFURNSBGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c15-14(18-7-2-8-18)17-10-11-4-5-13-12(9-11)3-1-6-16-13/h1,3-6,9H,2,7-8,10H2,(H2,15,17).
What are the key properties of N'-(quinolin-6-ylmethyl)azetidine-1-carboximidamide?
N'-(quinolin-6-ylmethyl)azetidine-1-carboximidamide has a molecular weight of 240.31 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(quinolin-6-ylmethyl)azetidine-1-carboximidamide is sourced from PubChem (CID 122095761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).