2-[[(E)-ethylideneamino]oxymethyl]-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;3-methylpyridine

C23H28N6O — CID 143051741

IUPAC2-[[(E)-ethylideneamino]oxymethyl]-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;3-methylpyridine
SMILESC/C=N/OCc1nc2c(N)nc3ccccc3c2n1CC(C)C.Cc1cccnc1
InChIInChI=1S/C17H21N5O.C6H7N/c1-4-19-23-10-14-21-15-16(22(14)9-11(2)3)12-7-5-6-8-13(12)20-17(15)18;1-6-3-2-4-7-5-6/h4-8,11H,9-10H2,1-3H3,(H2,18,20);2-5H,1H3/b19-4+;
InChIKeyXHHNXLRZZOYCCN-RLNUVCJQSA-N
MW404.52 g/mol
LogP4.74
Rot. Bonds5

About 2-[[(E)-ethylideneamino]oxymethyl]-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;3-methylpyridine

2-[[(E)-ethylideneamino]oxymethyl]-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;3-methylpyridine (PubChem CID 143051741) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 2-[[(E)-ethylideneamino]oxymethyl]-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;3-methylpyridine.

Molecular Properties

Compound Name2-[[(E)-ethylideneamino]oxymethyl]-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;3-methylpyridine
PubChem CID143051741
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name2-[[(E)-ethylideneamino]oxymethyl]-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;3-methylpyridine
SMILESC/C=N/OCc1nc2c(N)nc3ccccc3c2n1CC(C)C.Cc1cccnc1
InChIInChI=1S/C17H21N5O.C6H7N/c1-4-19-23-10-14-21-15-16(22(14)9-11(2)3)12-7-5-6-8-13(12)20-17(15)18;1-6-3-2-4-7-5-6/h4-8,11H,9-10H2,1-3H3,(H2,18,20);2-5H,1H3/b19-4+;
InChIKeyXHHNXLRZZOYCCN-RLNUVCJQSA-N
XLogP4.74
TPSA91.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[[(E)-ethylideneamino]oxymethyl]-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;3-methylpyridine with MolForge

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Related Compounds

1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-4-amine
CID 11150246
2-(dimethylphosphorylmethoxymethyl)-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine
CID 59796222
1-(2-methylpropyl)-2-phenylimidazo[4,5-c]quinolin-4-amine
CID 11209291
1-(2-methylpropyl)-2-pentylimidazo[4,5-c]quinolin-4-amine
CID 11185992
2-heptyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine
CID 11739260
1-(2-methylpropyl)-2-(piperazin-1-ylmethyl)imidazo[4,5-c]quinolin-4-amine
CID 69318179
2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine
CID 67052415
2-N-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinoline-2,4-diamine
CID 11630397
1-(2-methylpropyl)-2-(morpholin-4-ylmethyl)imidazo[4,5-c]quinolin-4-amine
CID 10290980
2-(ethoxymethyl)-1-ethylimidazo[4,5-c]quinolin-4-amine
CID 122646444
2-butyl-1-(pyridin-3-ylmethyl)imidazo[4,5-c]quinolin-4-amine
CID 177376197
1-[4-amino-2-(trifluoromethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
CID 149195534

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-ethylideneamino]oxymethyl]-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;3-methylpyridine?
The IUPAC name of 2-[[(E)-ethylideneamino]oxymethyl]-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;3-methylpyridine (CID 143051741) is 2-[[(E)-ethylideneamino]oxymethyl]-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;3-methylpyridine.
What is the SMILES notation for 2-[[(E)-ethylideneamino]oxymethyl]-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;3-methylpyridine?
The canonical SMILES for 2-[[(E)-ethylideneamino]oxymethyl]-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;3-methylpyridine is C/C=N/OCc1nc2c(N)nc3ccccc3c2n1CC(C)C.Cc1cccnc1.
What is the InChIKey of 2-[[(E)-ethylideneamino]oxymethyl]-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;3-methylpyridine?
The InChIKey is XHHNXLRZZOYCCN-RLNUVCJQSA-N. The full InChI is InChI=1S/C17H21N5O.C6H7N/c1-4-19-23-10-14-21-15-16(22(14)9-11(2)3)12-7-5-6-8-13(12)20-17(15)18;1-6-3-2-4-7-5-6/h4-8,11H,9-10H2,1-3H3,(H2,18,20);2-5H,1H3/b19-4+;.
What are the key properties of 2-[[(E)-ethylideneamino]oxymethyl]-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;3-methylpyridine?
2-[[(E)-ethylideneamino]oxymethyl]-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;3-methylpyridine has a molecular weight of 404.52 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-ethylideneamino]oxymethyl]-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;3-methylpyridine is sourced from PubChem (CID 143051741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).