(Z)-2-methylimino-N-(6-methylquinolin-2-yl)hex-3-enamide

C17H19N3O — CID 169248480

IUPAC(Z)-2-methylimino-N-(6-methylquinolin-2-yl)hex-3-enamide
SMILESCC/C=C\C(=N/C)C(=O)Nc1ccc2cc(C)ccc2n1
InChIInChI=1S/C17H19N3O/c1-4-5-6-15(18-3)17(21)20-16-10-8-13-11-12(2)7-9-14(13)19-16/h5-11H,4H2,1-3H3,(H,19,20,21)/b6-5-,18-15+
InChIKeyARCHSPMTCCTEII-RYJYUDELSA-N
MW281.36 g/mol
LogP3.52
Rot. Bonds4

About (Z)-2-methylimino-N-(6-methylquinolin-2-yl)hex-3-enamide

(Z)-2-methylimino-N-(6-methylquinolin-2-yl)hex-3-enamide (PubChem CID 169248480) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is (Z)-2-methylimino-N-(6-methylquinolin-2-yl)hex-3-enamide.

Molecular Properties

Compound Name(Z)-2-methylimino-N-(6-methylquinolin-2-yl)hex-3-enamide
PubChem CID169248480
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name(Z)-2-methylimino-N-(6-methylquinolin-2-yl)hex-3-enamide
SMILESCC/C=C\C(=N/C)C(=O)Nc1ccc2cc(C)ccc2n1
InChIInChI=1S/C17H19N3O/c1-4-5-6-15(18-3)17(21)20-16-10-8-13-11-12(2)7-9-14(13)19-16/h5-11H,4H2,1-3H3,(H,19,20,21)/b6-5-,18-15+
InChIKeyARCHSPMTCCTEII-RYJYUDELSA-N
XLogP3.52
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-methylimino-N-(6-methylquinolin-2-yl)hex-3-enamide?
The IUPAC name of (Z)-2-methylimino-N-(6-methylquinolin-2-yl)hex-3-enamide (CID 169248480) is (Z)-2-methylimino-N-(6-methylquinolin-2-yl)hex-3-enamide.
What is the SMILES notation for (Z)-2-methylimino-N-(6-methylquinolin-2-yl)hex-3-enamide?
The canonical SMILES for (Z)-2-methylimino-N-(6-methylquinolin-2-yl)hex-3-enamide is CC/C=C\C(=N/C)C(=O)Nc1ccc2cc(C)ccc2n1.
What is the InChIKey of (Z)-2-methylimino-N-(6-methylquinolin-2-yl)hex-3-enamide?
The InChIKey is ARCHSPMTCCTEII-RYJYUDELSA-N. The full InChI is InChI=1S/C17H19N3O/c1-4-5-6-15(18-3)17(21)20-16-10-8-13-11-12(2)7-9-14(13)19-16/h5-11H,4H2,1-3H3,(H,19,20,21)/b6-5-,18-15+.
What are the key properties of (Z)-2-methylimino-N-(6-methylquinolin-2-yl)hex-3-enamide?
(Z)-2-methylimino-N-(6-methylquinolin-2-yl)hex-3-enamide has a molecular weight of 281.36 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methylimino-N-(6-methylquinolin-2-yl)hex-3-enamide is sourced from PubChem (CID 169248480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).