7-(5,5-dimethylhexyl)-2-methanidyl-3H-imidazo[4,5-c]quinolin-4-amine;8-(5,5-dimethylhexyl)-2-methanidyl-3H-imidazo[4,5-c]quinolin-4-amine;ethane;bis(vanadium(2+))

C42H60N8V2 — CID 158341760

IUPAC7-(5,5-dimethylhexyl)-2-methanidyl-3H-imidazo[4,5-c]quinolin-4-amine;8-(5,5-dimethylhexyl)-2-methanidyl-3H-imidazo[4,5-c]quinolin-4-amine;ethane;bis(vanadium(2+))
SMILES[CH2-]C.[CH2-]C.[CH2-]c1nc2c([nH]1)c(N)nc1cc(CCCCC(C)(C)C)ccc12.[CH2-]c1nc2c([nH]1)c(N)nc1ccc(CCCCC(C)(C)C)cc12.[V+2].[V+2]
InChIInChI=1S/2C19H25N4.2C2H5.2V/c1-12-21-16-14-11-13(7-5-6-10-19(2,3)4)8-9-15(14)23-18(20)17(16)22-12;1-12-21-16-14-9-8-13(7-5-6-10-19(2,3)4)11-15(14)23-18(20)17(16)22-12;2*1-2;;/h2*8-9,11H,1,5-7,10H2,2-4H3,(H2,20,23)(H,21,22);2*1H2,2H3;;/q4*-1;2*+2
InChIKeyGRGCWXIVLZFHST-UHFFFAOYSA-N
MW778.89 g/mol
LogP10.94
Rot. Bonds8

About 7-(5,5-dimethylhexyl)-2-methanidyl-3H-imidazo[4,5-c]quinolin-4-amine;8-(5,5-dimethylhexyl)-2-methanidyl-3H-imidazo[4,5-c]quinolin-4-amine;ethane;bis(vanadium(2+))

7-(5,5-dimethylhexyl)-2-methanidyl-3H-imidazo[4,5-c]quinolin-4-amine;8-(5,5-dimethylhexyl)-2-methanidyl-3H-imidazo[4,5-c]quinolin-4-amine;ethane;bis(vanadium(2+)) (PubChem CID 158341760) has the molecular formula C42H60N8V2 and a molecular weight of 778.89 g/mol. Its IUPAC name is 7-(5,5-dimethylhexyl)-2-methanidyl-3H-imidazo[4,5-c]quinolin-4-amine;8-(5,5-dimethylhexyl)-2-methanidyl-3H-imidazo[4,5-c]quinolin-4-amine;ethane;bis(vanadium(2+)).

Molecular Properties

Compound Name7-(5,5-dimethylhexyl)-2-methanidyl-3H-imidazo[4,5-c]quinolin-4-amine;8-(5,5-dimethylhexyl)-2-methanidyl-3H-imidazo[4,5-c]quinolin-4-amine;ethane;bis(vanadium(2+))
PubChem CID158341760
Molecular FormulaC42H60N8V2
Molecular Weight778.89 g/mol
Exact Mass778.38
IUPAC Name7-(5,5-dimethylhexyl)-2-methanidyl-3H-imidazo[4,5-c]quinolin-4-amine;8-(5,5-dimethylhexyl)-2-methanidyl-3H-imidazo[4,5-c]quinolin-4-amine;ethane;bis(vanadium(2+))
SMILES[CH2-]C.[CH2-]C.[CH2-]c1nc2c([nH]1)c(N)nc1cc(CCCCC(C)(C)C)ccc12.[CH2-]c1nc2c([nH]1)c(N)nc1ccc(CCCCC(C)(C)C)cc12.[V+2].[V+2]
InChIInChI=1S/2C19H25N4.2C2H5.2V/c1-12-21-16-14-11-13(7-5-6-10-19(2,3)4)8-9-15(14)23-18(20)17(16)22-12;1-12-21-16-14-9-8-13(7-5-6-10-19(2,3)4)11-15(14)23-18(20)17(16)22-12;2*1-2;;/h2*8-9,11H,1,5-7,10H2,2-4H3,(H2,20,23)(H,21,22);2*1H2,2H3;;/q4*-1;2*+2
InChIKeyGRGCWXIVLZFHST-UHFFFAOYSA-N
XLogP10.94
TPSA135.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.89
LogP ≤ 510.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 7-(5,5-dimethylhexyl)-2-methanidyl-3H-imidazo[4,5-c]quinolin-4-amine;8-(5,5-dimethylhexyl)-2-methanidyl-3H-imidazo[4,5-c]quinolin-4-amine;ethane;bis(vanadium(2+)) with MolForge

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Related Compounds

7-(7,7-dimethyloctyl)-2-(ethylaminomethyl)-1H-pyrrolo[3,2-c]quinolin-4-amine
CID 158027544
7-(7,7-dimethyloctyl)-2-propylfuro[3,2-c]quinolin-4-amine
CID 159487559
7-[(4-aminophenyl)methyl]-2-butyl-3H-imidazo[4,5-c]quinolin-4-amine
CID 164926397
5-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)pentyl-dimethyl-[2-(3-methylsulfanyl-3-oxopropoxy)ethyl]azanium
CID 164970618
S-methyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)pentyl-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanethioate
CID 164973843
2-butyl-7-propan-2-yl-3H-imidazo[4,5-c]quinolin-4-amine
CID 158069633
3-[4-amino-7-(trifluoromethyl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol
CID 138607527
5-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)pentyl-[2-(2-carboxyethoxy)ethyl]-dimethylazanium;2-butyl-7-[5-(dimethylamino)pentyl]-3H-imidazo[4,5-c]quinolin-4-amine;tert-butyl 3-(2-iodoethoxy)propanoate
CID 165097216
1,4-bis(10,10-dimethylundecyl)benzene
CID 151982772
5-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)pentyl-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-dimethylazanium;5-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)pentyl-dimethyl-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]azanium;2,3,5,6-tetrafluorophenol
CID 165002987
4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)pentyl-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one;(2,3,5,6-tetrafluorophenyl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)pentyl-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 162037190
potassium [1-[5-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)pentylamino]-1-oxo-3-sulfanylpropan-2-yl]oxy-[3-(2,2-dimethyl-4-oxobutoxy)-2,2-dimethylpropyl]azanide
CID 155696785

Frequently Asked Questions

What is the IUPAC name of 7-(5,5-dimethylhexyl)-2-methanidyl-3H-imidazo[4,5-c]quinolin-4-amine;8-(5,5-dimethylhexyl)-2-methanidyl-3H-imidazo[4,5-c]quinolin-4-amine;ethane;bis(vanadium(2+))?
The IUPAC name of 7-(5,5-dimethylhexyl)-2-methanidyl-3H-imidazo[4,5-c]quinolin-4-amine;8-(5,5-dimethylhexyl)-2-methanidyl-3H-imidazo[4,5-c]quinolin-4-amine;ethane;bis(vanadium(2+)) (CID 158341760) is 7-(5,5-dimethylhexyl)-2-methanidyl-3H-imidazo[4,5-c]quinolin-4-amine;8-(5,5-dimethylhexyl)-2-methanidyl-3H-imidazo[4,5-c]quinolin-4-amine;ethane;bis(vanadium(2+)).
What is the SMILES notation for 7-(5,5-dimethylhexyl)-2-methanidyl-3H-imidazo[4,5-c]quinolin-4-amine;8-(5,5-dimethylhexyl)-2-methanidyl-3H-imidazo[4,5-c]quinolin-4-amine;ethane;bis(vanadium(2+))?
The canonical SMILES for 7-(5,5-dimethylhexyl)-2-methanidyl-3H-imidazo[4,5-c]quinolin-4-amine;8-(5,5-dimethylhexyl)-2-methanidyl-3H-imidazo[4,5-c]quinolin-4-amine;ethane;bis(vanadium(2+)) is [CH2-]C.[CH2-]C.[CH2-]c1nc2c([nH]1)c(N)nc1cc(CCCCC(C)(C)C)ccc12.[CH2-]c1nc2c([nH]1)c(N)nc1ccc(CCCCC(C)(C)C)cc12.[V+2].[V+2].
What is the InChIKey of 7-(5,5-dimethylhexyl)-2-methanidyl-3H-imidazo[4,5-c]quinolin-4-amine;8-(5,5-dimethylhexyl)-2-methanidyl-3H-imidazo[4,5-c]quinolin-4-amine;ethane;bis(vanadium(2+))?
The InChIKey is GRGCWXIVLZFHST-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H25N4.2C2H5.2V/c1-12-21-16-14-11-13(7-5-6-10-19(2,3)4)8-9-15(14)23-18(20)17(16)22-12;1-12-21-16-14-9-8-13(7-5-6-10-19(2,3)4)11-15(14)23-18(20)17(16)22-12;2*1-2;;/h2*8-9,11H,1,5-7,10H2,2-4H3,(H2,20,23)(H,21,22);2*1H2,2H3;;/q4*-1;2*+2.
What are the key properties of 7-(5,5-dimethylhexyl)-2-methanidyl-3H-imidazo[4,5-c]quinolin-4-amine;8-(5,5-dimethylhexyl)-2-methanidyl-3H-imidazo[4,5-c]quinolin-4-amine;ethane;bis(vanadium(2+))?
7-(5,5-dimethylhexyl)-2-methanidyl-3H-imidazo[4,5-c]quinolin-4-amine;8-(5,5-dimethylhexyl)-2-methanidyl-3H-imidazo[4,5-c]quinolin-4-amine;ethane;bis(vanadium(2+)) has a molecular weight of 778.89 g/mol, XLogP of 10.94, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5,5-dimethylhexyl)-2-methanidyl-3H-imidazo[4,5-c]quinolin-4-amine;8-(5,5-dimethylhexyl)-2-methanidyl-3H-imidazo[4,5-c]quinolin-4-amine;ethane;bis(vanadium(2+)) is sourced from PubChem (CID 158341760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).