N-[4-[2-butyl-4-(dimethylamino)imidazo[4,5-c]quinolin-1-yl]oxybutyl]propanamide

C23H33N5O2 — CID 130232255

IUPACN-[4-[2-butyl-4-(dimethylamino)imidazo[4,5-c]quinolin-1-yl]oxybutyl]propanamide
SMILESCCCCc1nc2c(N(C)C)nc3ccccc3c2n1OCCCCNC(=O)CC
InChIInChI=1S/C23H33N5O2/c1-5-7-14-19-26-21-22(28(19)30-16-11-10-15-24-20(29)6-2)17-12-8-9-13-18(17)25-23(21)27(3)4/h8-9,12-13H,5-7,10-11,14-16H2,1-4H3,(H,24,29)
InChIKeyJWNBBFOKEAEWPL-UHFFFAOYSA-N
MW411.55 g/mol
LogP3.73
Rot. Bonds11

About N-[4-[2-butyl-4-(dimethylamino)imidazo[4,5-c]quinolin-1-yl]oxybutyl]propanamide

N-[4-[2-butyl-4-(dimethylamino)imidazo[4,5-c]quinolin-1-yl]oxybutyl]propanamide (PubChem CID 130232255) has the molecular formula C23H33N5O2 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-[4-[2-butyl-4-(dimethylamino)imidazo[4,5-c]quinolin-1-yl]oxybutyl]propanamide.

Molecular Properties

Compound NameN-[4-[2-butyl-4-(dimethylamino)imidazo[4,5-c]quinolin-1-yl]oxybutyl]propanamide
PubChem CID130232255
Molecular FormulaC23H33N5O2
Molecular Weight411.55 g/mol
Exact Mass411.26
IUPAC NameN-[4-[2-butyl-4-(dimethylamino)imidazo[4,5-c]quinolin-1-yl]oxybutyl]propanamide
SMILESCCCCc1nc2c(N(C)C)nc3ccccc3c2n1OCCCCNC(=O)CC
InChIInChI=1S/C23H33N5O2/c1-5-7-14-19-26-21-22(28(19)30-16-11-10-15-24-20(29)6-2)17-12-8-9-13-18(17)25-23(21)27(3)4/h8-9,12-13H,5-7,10-11,14-16H2,1-4H3,(H,24,29)
InChIKeyJWNBBFOKEAEWPL-UHFFFAOYSA-N
XLogP3.73
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxyethoxy]ethyl]-4-tridecoxybutanamide
CID 142540673
S-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl] propanethioate
CID 130233004
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
2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-6-hydrazinylpyridine-3-carboxamide
CID 141350943
N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxyethoxy]ethyl]-4-tetradecylsulfanylbutanamide
CID 150695093
4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl carbamate;2,2-dimethylpentane
CID 144759222
4-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]-4-oxobutanoic acid
CID 135137543
benzyl-[4-(2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamic acid
CID 135185216

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-butyl-4-(dimethylamino)imidazo[4,5-c]quinolin-1-yl]oxybutyl]propanamide?
The IUPAC name of N-[4-[2-butyl-4-(dimethylamino)imidazo[4,5-c]quinolin-1-yl]oxybutyl]propanamide (CID 130232255) is N-[4-[2-butyl-4-(dimethylamino)imidazo[4,5-c]quinolin-1-yl]oxybutyl]propanamide.
What is the SMILES notation for N-[4-[2-butyl-4-(dimethylamino)imidazo[4,5-c]quinolin-1-yl]oxybutyl]propanamide?
The canonical SMILES for N-[4-[2-butyl-4-(dimethylamino)imidazo[4,5-c]quinolin-1-yl]oxybutyl]propanamide is CCCCc1nc2c(N(C)C)nc3ccccc3c2n1OCCCCNC(=O)CC.
What is the InChIKey of N-[4-[2-butyl-4-(dimethylamino)imidazo[4,5-c]quinolin-1-yl]oxybutyl]propanamide?
The InChIKey is JWNBBFOKEAEWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O2/c1-5-7-14-19-26-21-22(28(19)30-16-11-10-15-24-20(29)6-2)17-12-8-9-13-18(17)25-23(21)27(3)4/h8-9,12-13H,5-7,10-11,14-16H2,1-4H3,(H,24,29).
What are the key properties of N-[4-[2-butyl-4-(dimethylamino)imidazo[4,5-c]quinolin-1-yl]oxybutyl]propanamide?
N-[4-[2-butyl-4-(dimethylamino)imidazo[4,5-c]quinolin-1-yl]oxybutyl]propanamide has a molecular weight of 411.55 g/mol, XLogP of 3.73, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-butyl-4-(dimethylamino)imidazo[4,5-c]quinolin-1-yl]oxybutyl]propanamide is sourced from PubChem (CID 130232255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).