2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-6-hydrazinylpyridine-3-carboxamide

C24H30N8O2 — CID 141350943

IUPAC2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-6-hydrazinylpyridine-3-carboxamide
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1OCCCCc1nc(NN)ccc1C(N)=O
InChIInChI=1S/C24H30N8O2/c1-2-3-11-20-30-21-22(15-8-4-5-9-17(15)29-23(21)25)32(20)34-14-7-6-10-18-16(24(26)33)12-13-19(28-18)31-27/h4-5,8-9,12-13H,2-3,6-7,10-11,14,27H2,1H3,(H2,25,29)(H2,26,33)(H,28,31)
InChIKeyUIGVOMAKGYTVFL-UHFFFAOYSA-N
MW462.56 g/mol
LogP2.74
Rot. Bonds11

About 2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-6-hydrazinylpyridine-3-carboxamide

2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-6-hydrazinylpyridine-3-carboxamide (PubChem CID 141350943) has the molecular formula C24H30N8O2 and a molecular weight of 462.56 g/mol. Its IUPAC name is 2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-6-hydrazinylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-6-hydrazinylpyridine-3-carboxamide
PubChem CID141350943
Molecular FormulaC24H30N8O2
Molecular Weight462.56 g/mol
Exact Mass462.25
IUPAC Name2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-6-hydrazinylpyridine-3-carboxamide
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1OCCCCc1nc(NN)ccc1C(N)=O
InChIInChI=1S/C24H30N8O2/c1-2-3-11-20-30-21-22(15-8-4-5-9-17(15)29-23(21)25)32(20)34-14-7-6-10-18-16(24(26)33)12-13-19(28-18)31-27/h4-5,8-9,12-13H,2-3,6-7,10-11,14,27H2,1H3,(H2,25,29)(H2,26,33)(H,28,31)
InChIKeyUIGVOMAKGYTVFL-UHFFFAOYSA-N
XLogP2.74
TPSA159.99 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.56
LogP ≤ 52.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl carbamate;2,2-dimethylpentane
CID 144759222
2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]octadecanamide
CID 151097826
1-(4-aminobutoxy)-2-butylimidazo[4,5-c]quinolin-4-amine;(E)-but-2-enedioic acid
CID 66765685
S-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl] propanethioate
CID 130233004
S-methyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamothioate
CID 166661227
benzyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;ethane
CID 154666644
1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-3-(2,4,4-trimethylpentan-2-yl)urea
CID 123998715
2-butyl-1-[4-(3-heptadecyl-1,2,4-oxadiazol-5-yl)butoxy]imidazo[4,5-c]quinolin-4-amine
CID 154666615
N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxyethoxy]ethyl]-4-tridecoxybutanamide
CID 142540673
N-[4-[2-butyl-4-(dimethylamino)imidazo[4,5-c]quinolin-1-yl]oxybutyl]propanamide
CID 130232255
N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxyethoxy]ethyl]-4-tetradecylsulfanylbutanamide
CID 150695093
2-butyl-1-[4-(ethylaminooxy)butyl]imidazo[4,5-c]quinolin-4-amine;ethane
CID 143008375

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-6-hydrazinylpyridine-3-carboxamide?
The IUPAC name of 2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-6-hydrazinylpyridine-3-carboxamide (CID 141350943) is 2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-6-hydrazinylpyridine-3-carboxamide.
What is the SMILES notation for 2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-6-hydrazinylpyridine-3-carboxamide?
The canonical SMILES for 2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-6-hydrazinylpyridine-3-carboxamide is CCCCc1nc2c(N)nc3ccccc3c2n1OCCCCc1nc(NN)ccc1C(N)=O.
What is the InChIKey of 2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-6-hydrazinylpyridine-3-carboxamide?
The InChIKey is UIGVOMAKGYTVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8O2/c1-2-3-11-20-30-21-22(15-8-4-5-9-17(15)29-23(21)25)32(20)34-14-7-6-10-18-16(24(26)33)12-13-19(28-18)31-27/h4-5,8-9,12-13H,2-3,6-7,10-11,14,27H2,1H3,(H2,25,29)(H2,26,33)(H,28,31).
What are the key properties of 2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-6-hydrazinylpyridine-3-carboxamide?
2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-6-hydrazinylpyridine-3-carboxamide has a molecular weight of 462.56 g/mol, XLogP of 2.74, 11 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-6-hydrazinylpyridine-3-carboxamide is sourced from PubChem (CID 141350943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).