2-butyl-1-[2-[2-(methylamino)ethoxy]ethyl]imidazo[4,5-c]quinolin-4-amine;ethane;formaldehyde;2-methylthiophene

C28H43N5O3S — CID 142145797

IUPAC2-butyl-1-[2-[2-(methylamino)ethoxy]ethyl]imidazo[4,5-c]quinolin-4-amine;ethane;formaldehyde;2-methylthiophene
SMILESC=O.C=O.CC.CCCCc1nc2c(N)nc3ccccc3c2n1CCOCCNC.Cc1cccs1
InChIInChI=1S/C19H27N5O.C5H6S.C2H6.2CH2O/c1-3-4-9-16-23-17-18(24(16)11-13-25-12-10-21-2)14-7-5-6-8-15(14)22-19(17)20;1-5-3-2-4-6-5;3*1-2/h5-8,21H,3-4,9-13H2,1-2H3,(H2,20,22);2-4H,1H3;1-2H3;2*1H2
InChIKeyHNRIYSBFSVLOSP-UHFFFAOYSA-N
MW529.75 g/mol
LogP5.46
Rot. Bonds9

About 2-butyl-1-[2-[2-(methylamino)ethoxy]ethyl]imidazo[4,5-c]quinolin-4-amine;ethane;formaldehyde;2-methylthiophene

2-butyl-1-[2-[2-(methylamino)ethoxy]ethyl]imidazo[4,5-c]quinolin-4-amine;ethane;formaldehyde;2-methylthiophene (PubChem CID 142145797) has the molecular formula C28H43N5O3S and a molecular weight of 529.75 g/mol. Its IUPAC name is 2-butyl-1-[2-[2-(methylamino)ethoxy]ethyl]imidazo[4,5-c]quinolin-4-amine;ethane;formaldehyde;2-methylthiophene.

Molecular Properties

Compound Name2-butyl-1-[2-[2-(methylamino)ethoxy]ethyl]imidazo[4,5-c]quinolin-4-amine;ethane;formaldehyde;2-methylthiophene
PubChem CID142145797
Molecular FormulaC28H43N5O3S
Molecular Weight529.75 g/mol
Exact Mass529.31
IUPAC Name2-butyl-1-[2-[2-(methylamino)ethoxy]ethyl]imidazo[4,5-c]quinolin-4-amine;ethane;formaldehyde;2-methylthiophene
SMILESC=O.C=O.CC.CCCCc1nc2c(N)nc3ccccc3c2n1CCOCCNC.Cc1cccs1
InChIInChI=1S/C19H27N5O.C5H6S.C2H6.2CH2O/c1-3-4-9-16-23-17-18(24(16)11-13-25-12-10-21-2)14-7-5-6-8-15(14)22-19(17)20;1-5-3-2-4-6-5;3*1-2/h5-8,21H,3-4,9-13H2,1-2H3,(H2,20,22);2-4H,1H3;1-2H3;2*1H2
InChIKeyHNRIYSBFSVLOSP-UHFFFAOYSA-N
XLogP5.46
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.75
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]benzamide;ethane
CID 142145306
N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]benzamide
CID 20608822
3-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]propane-1-sulfinate
CID 139451645
N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]naphthalene-1-carboxamide
CID 20608821
N-[2-[2-[4-amino-2-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]cyclopropanecarboxamide
CID 142145309
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)ethoxy]ethyl]-4-methylsulfonylbenzenesulfonamide
CID 20613699
4-amino-N-[2-[2-[4-amino-2-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]butanamide
CID 142145311
2-butyl-1-[4-(ethylaminooxy)butyl]imidazo[4,5-c]quinolin-4-amine;ethane
CID 143008375
2-butyl-1-(2-hex-5-en-2-ynoxyethyl)imidazo[4,5-c]quinolin-4-amine
CID 142145757
2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
2-amino-N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-5-(diaminomethylideneamino)pentanamide;ethane
CID 162737190

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-[2-[2-(methylamino)ethoxy]ethyl]imidazo[4,5-c]quinolin-4-amine;ethane;formaldehyde;2-methylthiophene?
The IUPAC name of 2-butyl-1-[2-[2-(methylamino)ethoxy]ethyl]imidazo[4,5-c]quinolin-4-amine;ethane;formaldehyde;2-methylthiophene (CID 142145797) is 2-butyl-1-[2-[2-(methylamino)ethoxy]ethyl]imidazo[4,5-c]quinolin-4-amine;ethane;formaldehyde;2-methylthiophene.
What is the SMILES notation for 2-butyl-1-[2-[2-(methylamino)ethoxy]ethyl]imidazo[4,5-c]quinolin-4-amine;ethane;formaldehyde;2-methylthiophene?
The canonical SMILES for 2-butyl-1-[2-[2-(methylamino)ethoxy]ethyl]imidazo[4,5-c]quinolin-4-amine;ethane;formaldehyde;2-methylthiophene is C=O.C=O.CC.CCCCc1nc2c(N)nc3ccccc3c2n1CCOCCNC.Cc1cccs1.
What is the InChIKey of 2-butyl-1-[2-[2-(methylamino)ethoxy]ethyl]imidazo[4,5-c]quinolin-4-amine;ethane;formaldehyde;2-methylthiophene?
The InChIKey is HNRIYSBFSVLOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O.C5H6S.C2H6.2CH2O/c1-3-4-9-16-23-17-18(24(16)11-13-25-12-10-21-2)14-7-5-6-8-15(14)22-19(17)20;1-5-3-2-4-6-5;3*1-2/h5-8,21H,3-4,9-13H2,1-2H3,(H2,20,22);2-4H,1H3;1-2H3;2*1H2.
What are the key properties of 2-butyl-1-[2-[2-(methylamino)ethoxy]ethyl]imidazo[4,5-c]quinolin-4-amine;ethane;formaldehyde;2-methylthiophene?
2-butyl-1-[2-[2-(methylamino)ethoxy]ethyl]imidazo[4,5-c]quinolin-4-amine;ethane;formaldehyde;2-methylthiophene has a molecular weight of 529.75 g/mol, XLogP of 5.46, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-[2-[2-(methylamino)ethoxy]ethyl]imidazo[4,5-c]quinolin-4-amine;ethane;formaldehyde;2-methylthiophene is sourced from PubChem (CID 142145797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).