3-(N-quinolin-2-ylanilino)propanimidamide

C18H18N4 — CID 24701549

IUPAC3-(N-quinolin-2-ylanilino)propanimidamide
SMILES[H]/N=C(\N)CCN(c1ccccc1)c1ccc2ccccc2n1
InChIInChI=1S/C18H18N4/c19-17(20)12-13-22(15-7-2-1-3-8-15)18-11-10-14-6-4-5-9-16(14)21-18/h1-11H,12-13H2,(H3,19,20)
InChIKeyXYUQUPJSYXAIQK-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.70
Rot. Bonds5

About 3-(N-quinolin-2-ylanilino)propanimidamide

3-(N-quinolin-2-ylanilino)propanimidamide (PubChem CID 24701549) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-(N-quinolin-2-ylanilino)propanimidamide.

Molecular Properties

Compound Name3-(N-quinolin-2-ylanilino)propanimidamide
PubChem CID24701549
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name3-(N-quinolin-2-ylanilino)propanimidamide
SMILES[H]/N=C(\N)CCN(c1ccccc1)c1ccc2ccccc2n1
InChIInChI=1S/C18H18N4/c19-17(20)12-13-22(15-7-2-1-3-8-15)18-11-10-14-6-4-5-9-16(14)21-18/h1-11H,12-13H2,(H3,19,20)
InChIKeyXYUQUPJSYXAIQK-UHFFFAOYSA-N
XLogP3.70
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-(N-(5-iodopyrimidin-2-yl)anilino)propanimidamide
CID 116648348
1-phenyl-1-quinolin-2-ylhydrazine
CID 176877682
3-(N-(3-fluoro-2-pyridinyl)anilino)propanimidamide
CID 55111525
1-methylsulfanyl-1-quinolin-2-ylguanidine
CID 148919999
3-(N-(2-oxo-1H-pyrazin-3-yl)anilino)propanimidamide
CID 114570768
3-[2-methoxyethyl(quinolin-2-ylmethyl)amino]propanimidamide
CID 63286083
3-[N-[(6-methyl-2-pyridinyl)methyl]anilino]propanimidamide
CID 79267977
3-(N-(6-methyl-2-pyridinyl)anilino)propanethioamide
CID 60875664
3-[propan-2-yl(quinolin-2-yl)amino]propanethioamide
CID 54996763
4-(N-ethylanilino)butanimidamide
CID 24691564
1-(3-amino-3-iminopropyl)-3,3-diethyl-1-phenylurea
CID 79161303
quinoline-2-carboximidamide;dihydrochloride
CID 42614305

Frequently Asked Questions

What is the IUPAC name of 3-(N-quinolin-2-ylanilino)propanimidamide?
The IUPAC name of 3-(N-quinolin-2-ylanilino)propanimidamide (CID 24701549) is 3-(N-quinolin-2-ylanilino)propanimidamide.
What is the SMILES notation for 3-(N-quinolin-2-ylanilino)propanimidamide?
The canonical SMILES for 3-(N-quinolin-2-ylanilino)propanimidamide is [H]/N=C(\N)CCN(c1ccccc1)c1ccc2ccccc2n1.
What is the InChIKey of 3-(N-quinolin-2-ylanilino)propanimidamide?
The InChIKey is XYUQUPJSYXAIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4/c19-17(20)12-13-22(15-7-2-1-3-8-15)18-11-10-14-6-4-5-9-16(14)21-18/h1-11H,12-13H2,(H3,19,20).
What are the key properties of 3-(N-quinolin-2-ylanilino)propanimidamide?
3-(N-quinolin-2-ylanilino)propanimidamide has a molecular weight of 290.37 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-quinolin-2-ylanilino)propanimidamide is sourced from PubChem (CID 24701549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).