N-[1-(6,7-dihydroquinolin-3-yl)ethylidene]-N'-(methylideneamino)ethanimidamide

C14H16N4 — CID 174183119

IUPACN-[1-(6,7-dihydroquinolin-3-yl)ethylidene]-N'-(methylideneamino)ethanimidamide
SMILESC=N/N=C(C)\N=C(/C)c1cnc2c(c1)=CCCC=2
InChIInChI=1S/C14H16N4/c1-10(17-11(2)18-15-3)13-8-12-6-4-5-7-14(12)16-9-13/h6-9H,3-5H2,1-2H3/b17-10+,18-11-
InChIKeyQDRSDTIPVYYJKP-VJTUXUFQSA-N
MW240.31 g/mol
LogP1.28
Rot. Bonds2

About N-[1-(6,7-dihydroquinolin-3-yl)ethylidene]-N'-(methylideneamino)ethanimidamide

N-[1-(6,7-dihydroquinolin-3-yl)ethylidene]-N'-(methylideneamino)ethanimidamide (PubChem CID 174183119) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is N-[1-(6,7-dihydroquinolin-3-yl)ethylidene]-N'-(methylideneamino)ethanimidamide.

Molecular Properties

Compound NameN-[1-(6,7-dihydroquinolin-3-yl)ethylidene]-N'-(methylideneamino)ethanimidamide
PubChem CID174183119
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC NameN-[1-(6,7-dihydroquinolin-3-yl)ethylidene]-N'-(methylideneamino)ethanimidamide
SMILESC=N/N=C(C)\N=C(/C)c1cnc2c(c1)=CCCC=2
InChIInChI=1S/C14H16N4/c1-10(17-11(2)18-15-3)13-8-12-6-4-5-7-14(12)16-9-13/h6-9H,3-5H2,1-2H3/b17-10+,18-11-
InChIKeyQDRSDTIPVYYJKP-VJTUXUFQSA-N
XLogP1.28
TPSA49.97 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6,7-dihydroquinolin-3-yl)ethylidene]-N'-(methylideneamino)ethanimidamide?
The IUPAC name of N-[1-(6,7-dihydroquinolin-3-yl)ethylidene]-N'-(methylideneamino)ethanimidamide (CID 174183119) is N-[1-(6,7-dihydroquinolin-3-yl)ethylidene]-N'-(methylideneamino)ethanimidamide.
What is the SMILES notation for N-[1-(6,7-dihydroquinolin-3-yl)ethylidene]-N'-(methylideneamino)ethanimidamide?
The canonical SMILES for N-[1-(6,7-dihydroquinolin-3-yl)ethylidene]-N'-(methylideneamino)ethanimidamide is C=N/N=C(C)\N=C(/C)c1cnc2c(c1)=CCCC=2.
What is the InChIKey of N-[1-(6,7-dihydroquinolin-3-yl)ethylidene]-N'-(methylideneamino)ethanimidamide?
The InChIKey is QDRSDTIPVYYJKP-VJTUXUFQSA-N. The full InChI is InChI=1S/C14H16N4/c1-10(17-11(2)18-15-3)13-8-12-6-4-5-7-14(12)16-9-13/h6-9H,3-5H2,1-2H3/b17-10+,18-11-.
What are the key properties of N-[1-(6,7-dihydroquinolin-3-yl)ethylidene]-N'-(methylideneamino)ethanimidamide?
N-[1-(6,7-dihydroquinolin-3-yl)ethylidene]-N'-(methylideneamino)ethanimidamide has a molecular weight of 240.31 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6,7-dihydroquinolin-3-yl)ethylidene]-N'-(methylideneamino)ethanimidamide is sourced from PubChem (CID 174183119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).