N'-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]quinoline-2-carboximidamide

C20H24N4 — CID 170856544

IUPACN'-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]quinoline-2-carboximidamide
SMILESCC12CCC(C/C1=N\N=C(/N)c1ccc3ccccc3n1)C2(C)C
InChIInChI=1S/C20H24N4/c1-19(2)14-10-11-20(19,3)17(12-14)23-24-18(21)16-9-8-13-6-4-5-7-15(13)22-16/h4-9,14H,10-12H2,1-3H3,(H2,21,24)/b23-17+
InChIKeyFXOVJCRQRFECGY-HAVVHWLPSA-N
MW320.44 g/mol
LogP4.14
Rot. Bonds2

About N'-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]quinoline-2-carboximidamide

N'-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]quinoline-2-carboximidamide (PubChem CID 170856544) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is N'-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]quinoline-2-carboximidamide.

Molecular Properties

Compound NameN'-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]quinoline-2-carboximidamide
PubChem CID170856544
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC NameN'-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]quinoline-2-carboximidamide
SMILESCC12CCC(C/C1=N\N=C(/N)c1ccc3ccccc3n1)C2(C)C
InChIInChI=1S/C20H24N4/c1-19(2)14-10-11-20(19,3)17(12-14)23-24-18(21)16-9-8-13-6-4-5-7-15(13)22-16/h4-9,14H,10-12H2,1-3H3,(H2,21,24)/b23-17+
InChIKeyFXOVJCRQRFECGY-HAVVHWLPSA-N
XLogP4.14
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.14
H-Bond Donors ≤ 51
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'-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]quinoline-2-carboximidamide?
The IUPAC name of N'-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]quinoline-2-carboximidamide (CID 170856544) is N'-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]quinoline-2-carboximidamide.
What is the SMILES notation for N'-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]quinoline-2-carboximidamide?
The canonical SMILES for N'-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]quinoline-2-carboximidamide is CC12CCC(C/C1=N\N=C(/N)c1ccc3ccccc3n1)C2(C)C.
What is the InChIKey of N'-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]quinoline-2-carboximidamide?
The InChIKey is FXOVJCRQRFECGY-HAVVHWLPSA-N. The full InChI is InChI=1S/C20H24N4/c1-19(2)14-10-11-20(19,3)17(12-14)23-24-18(21)16-9-8-13-6-4-5-7-15(13)22-16/h4-9,14H,10-12H2,1-3H3,(H2,21,24)/b23-17+.
What are the key properties of N'-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]quinoline-2-carboximidamide?
N'-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]quinoline-2-carboximidamide has a molecular weight of 320.44 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]quinoline-2-carboximidamide is sourced from PubChem (CID 170856544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).