2-butyl-N,7-dimethyl-3H-imidazo[4,5-c]quinolin-4-amine;ethane;formic acid

C19H28N4O2 — CID 170766292

IUPAC2-butyl-N,7-dimethyl-3H-imidazo[4,5-c]quinolin-4-amine;ethane;formic acid
SMILESCC.CCCCc1nc2c([nH]1)c(NC)nc1cc(C)ccc12.O=CO
InChIInChI=1S/C16H20N4.C2H6.CH2O2/c1-4-5-6-13-19-14-11-8-7-10(2)9-12(11)18-16(17-3)15(14)20-13;1-2;2-1-3/h7-9H,4-6H2,1-3H3,(H,17,18)(H,19,20);1-2H3;1H,(H,2,3)
InChIKeyOVSKPCXAJQURCD-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.53
Rot. Bonds4

About 2-butyl-N,7-dimethyl-3H-imidazo[4,5-c]quinolin-4-amine;ethane;formic acid

2-butyl-N,7-dimethyl-3H-imidazo[4,5-c]quinolin-4-amine;ethane;formic acid (PubChem CID 170766292) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-butyl-N,7-dimethyl-3H-imidazo[4,5-c]quinolin-4-amine;ethane;formic acid.

Molecular Properties

Compound Name2-butyl-N,7-dimethyl-3H-imidazo[4,5-c]quinolin-4-amine;ethane;formic acid
PubChem CID170766292
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name2-butyl-N,7-dimethyl-3H-imidazo[4,5-c]quinolin-4-amine;ethane;formic acid
SMILESCC.CCCCc1nc2c([nH]1)c(NC)nc1cc(C)ccc12.O=CO
InChIInChI=1S/C16H20N4.C2H6.CH2O2/c1-4-5-6-13-19-14-11-8-7-10(2)9-12(11)18-16(17-3)15(14)20-13;1-2;2-1-3/h7-9H,4-6H2,1-3H3,(H,17,18)(H,19,20);1-2H3;1H,(H,2,3)
InChIKeyOVSKPCXAJQURCD-UHFFFAOYSA-N
XLogP4.53
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-butyl-N,7-dimethyl-3H-imidazo[4,5-c]quinolin-4-amine;ethane;formic acid with MolForge

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Related Compounds

7-[(4-aminophenyl)methyl]-2-butyl-3H-imidazo[4,5-c]quinolin-4-amine
CID 164926397
2-butyl-7-propan-2-yl-3H-imidazo[4,5-c]quinolin-4-amine
CID 158069633
1-butyl-4-methylbenzene;formic acid
CID 177221373
2-butyl-1-(4-hydroxybutyl)-4-(methylamino)imidazo[4,5-c]quinoline-7-carboxylic acid
CID 170766222
9-butyl-4-methyl-2,3,8,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7(11),9,12,14-heptaene
CID 136731597
2-butyl-4-(methylamino)-1-[3-(phenylsulfanylamino)propyl]imidazo[4,5-c]quinoline-7-carbaldehyde;ethane;methanol
CID 170766160
2-butyl-6-(2-butyl-3H-benzimidazol-5-yl)-1H-benzimidazole
CID 101449351
8-methyl-2-pentyl-3H-quinazolin-4-one
CID 137279746
2,4,5,6-tetrabutyl-1H-benzimidazole;hydrobromide
CID 174989924
2-butyl-6-methyl-1H-imidazo[4,5-c]pyridin-4-amine
CID 172604036
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
5-benzyl-2-butyl-3,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione
CID 67837140

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N,7-dimethyl-3H-imidazo[4,5-c]quinolin-4-amine;ethane;formic acid?
The IUPAC name of 2-butyl-N,7-dimethyl-3H-imidazo[4,5-c]quinolin-4-amine;ethane;formic acid (CID 170766292) is 2-butyl-N,7-dimethyl-3H-imidazo[4,5-c]quinolin-4-amine;ethane;formic acid.
What is the SMILES notation for 2-butyl-N,7-dimethyl-3H-imidazo[4,5-c]quinolin-4-amine;ethane;formic acid?
The canonical SMILES for 2-butyl-N,7-dimethyl-3H-imidazo[4,5-c]quinolin-4-amine;ethane;formic acid is CC.CCCCc1nc2c([nH]1)c(NC)nc1cc(C)ccc12.O=CO.
What is the InChIKey of 2-butyl-N,7-dimethyl-3H-imidazo[4,5-c]quinolin-4-amine;ethane;formic acid?
The InChIKey is OVSKPCXAJQURCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4.C2H6.CH2O2/c1-4-5-6-13-19-14-11-8-7-10(2)9-12(11)18-16(17-3)15(14)20-13;1-2;2-1-3/h7-9H,4-6H2,1-3H3,(H,17,18)(H,19,20);1-2H3;1H,(H,2,3).
What are the key properties of 2-butyl-N,7-dimethyl-3H-imidazo[4,5-c]quinolin-4-amine;ethane;formic acid?
2-butyl-N,7-dimethyl-3H-imidazo[4,5-c]quinolin-4-amine;ethane;formic acid has a molecular weight of 344.46 g/mol, XLogP of 4.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N,7-dimethyl-3H-imidazo[4,5-c]quinolin-4-amine;ethane;formic acid is sourced from PubChem (CID 170766292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).