benzyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;ethane

C30H43N5O3 — CID 154666644

IUPACbenzyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;ethane
SMILESCC.CC.CCCCc1nc2c(N)nc3ccccc3c2n1OCCCCNC(=O)OCc1ccccc1
InChIInChI=1S/C26H31N5O3.2C2H6/c1-2-3-15-22-30-23-24(20-13-7-8-14-21(20)29-25(23)27)31(22)34-17-10-9-16-28-26(32)33-18-19-11-5-4-6-12-19;2*1-2/h4-8,11-14H,2-3,9-10,15-18H2,1H3,(H2,27,29)(H,28,32);2*1-2H3
InChIKeyBRNRTCRIVYOMQV-UHFFFAOYSA-N
MW521.71 g/mol
LogP6.70
Rot. Bonds11

About benzyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;ethane

benzyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;ethane (PubChem CID 154666644) has the molecular formula C30H43N5O3 and a molecular weight of 521.71 g/mol. Its IUPAC name is benzyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;ethane.

Molecular Properties

Compound Namebenzyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;ethane
PubChem CID154666644
Molecular FormulaC30H43N5O3
Molecular Weight521.71 g/mol
Exact Mass521.34
IUPAC Namebenzyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;ethane
SMILESCC.CC.CCCCc1nc2c(N)nc3ccccc3c2n1OCCCCNC(=O)OCc1ccccc1
InChIInChI=1S/C26H31N5O3.2C2H6/c1-2-3-15-22-30-23-24(20-13-7-8-14-21(20)29-25(23)27)31(22)34-17-10-9-16-28-26(32)33-18-19-11-5-4-6-12-19;2*1-2/h4-8,11-14H,2-3,9-10,15-18H2,1H3,(H2,27,29)(H,28,32);2*1-2H3
InChIKeyBRNRTCRIVYOMQV-UHFFFAOYSA-N
XLogP6.70
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.71
LogP ≤ 56.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze benzyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

S-methyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamothioate
CID 166661227
1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-3-(2,4,4-trimethylpentan-2-yl)urea
CID 123998715
S-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl] propanethioate
CID 130233004
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]octadecanamide
CID 151097826
N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxyethoxy]ethyl]-4-tridecoxybutanamide
CID 142540673
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]-6-hydrazinylpyridine-3-carboxamide
CID 141350943
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)ethoxy]ethyl]-2-phenylmethoxyacetamide
CID 20608837
N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxyethoxy]ethyl]-4-tetradecylsulfanylbutanamide
CID 150695093
1-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-3-benzylurea
CID 18616841

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;ethane?
The IUPAC name of benzyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;ethane (CID 154666644) is benzyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;ethane.
What is the SMILES notation for benzyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;ethane?
The canonical SMILES for benzyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;ethane is CC.CC.CCCCc1nc2c(N)nc3ccccc3c2n1OCCCCNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;ethane?
The InChIKey is BRNRTCRIVYOMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O3.2C2H6/c1-2-3-15-22-30-23-24(20-13-7-8-14-21(20)29-25(23)27)31(22)34-17-10-9-16-28-26(32)33-18-19-11-5-4-6-12-19;2*1-2/h4-8,11-14H,2-3,9-10,15-18H2,1H3,(H2,27,29)(H,28,32);2*1-2H3.
What are the key properties of benzyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;ethane?
benzyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;ethane has a molecular weight of 521.71 g/mol, XLogP of 6.70, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;ethane is sourced from PubChem (CID 154666644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).