3-[2,3-bis(ethenyl)-4,4-dimethylquinolin-1-yl]propanimidamide

C18H23N3 — CID 144748741

IUPAC3-[2,3-bis(ethenyl)-4,4-dimethylquinolin-1-yl]propanimidamide
SMILES[H]/N=C(\N)CCN1C(C=C)=C(C=C)C(C)(C)c2ccccc21
InChIInChI=1S/C18H23N3/c1-5-13-15(6-2)21(12-11-17(19)20)16-10-8-7-9-14(16)18(13,3)4/h5-10H,1-2,11-12H2,3-4H3,(H3,19,20)
InChIKeyZHJWWDYPZKBWGZ-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.74
Rot. Bonds5

About 3-[2,3-bis(ethenyl)-4,4-dimethylquinolin-1-yl]propanimidamide

3-[2,3-bis(ethenyl)-4,4-dimethylquinolin-1-yl]propanimidamide (PubChem CID 144748741) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-[2,3-bis(ethenyl)-4,4-dimethylquinolin-1-yl]propanimidamide.

Molecular Properties

Compound Name3-[2,3-bis(ethenyl)-4,4-dimethylquinolin-1-yl]propanimidamide
PubChem CID144748741
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name3-[2,3-bis(ethenyl)-4,4-dimethylquinolin-1-yl]propanimidamide
SMILES[H]/N=C(\N)CCN1C(C=C)=C(C=C)C(C)(C)c2ccccc21
InChIInChI=1S/C18H23N3/c1-5-13-15(6-2)21(12-11-17(19)20)16-10-8-7-9-14(16)18(13,3)4/h5-10H,1-2,11-12H2,3-4H3,(H3,19,20)
InChIKeyZHJWWDYPZKBWGZ-UHFFFAOYSA-N
XLogP3.74
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.74
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 3-[2,3-bis(ethenyl)-4,4-dimethylquinolin-1-yl]propanimidamide?
The IUPAC name of 3-[2,3-bis(ethenyl)-4,4-dimethylquinolin-1-yl]propanimidamide (CID 144748741) is 3-[2,3-bis(ethenyl)-4,4-dimethylquinolin-1-yl]propanimidamide.
What is the SMILES notation for 3-[2,3-bis(ethenyl)-4,4-dimethylquinolin-1-yl]propanimidamide?
The canonical SMILES for 3-[2,3-bis(ethenyl)-4,4-dimethylquinolin-1-yl]propanimidamide is [H]/N=C(\N)CCN1C(C=C)=C(C=C)C(C)(C)c2ccccc21.
What is the InChIKey of 3-[2,3-bis(ethenyl)-4,4-dimethylquinolin-1-yl]propanimidamide?
The InChIKey is ZHJWWDYPZKBWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-5-13-15(6-2)21(12-11-17(19)20)16-10-8-7-9-14(16)18(13,3)4/h5-10H,1-2,11-12H2,3-4H3,(H3,19,20).
What are the key properties of 3-[2,3-bis(ethenyl)-4,4-dimethylquinolin-1-yl]propanimidamide?
3-[2,3-bis(ethenyl)-4,4-dimethylquinolin-1-yl]propanimidamide has a molecular weight of 281.40 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3-bis(ethenyl)-4,4-dimethylquinolin-1-yl]propanimidamide is sourced from PubChem (CID 144748741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).