N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]benzamide;ethane

C27H35N5O2 — CID 142145306

IUPACN-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]benzamide;ethane
SMILESCC.CCCCc1nc2c(N)nc3ccccc3c2n1CCOCCNC(=O)c1ccccc1
InChIInChI=1S/C25H29N5O2.C2H6/c1-2-3-13-21-29-22-23(19-11-7-8-12-20(19)28-24(22)26)30(21)15-17-32-16-14-27-25(31)18-9-5-4-6-10-18;1-2/h4-12H,2-3,13-17H2,1H3,(H2,26,28)(H,27,31);1-2H3
InChIKeyVYJZFHQQPRQQLR-UHFFFAOYSA-N
MW461.61 g/mol
LogP4.98
Rot. Bonds10

About N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]benzamide;ethane

N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]benzamide;ethane (PubChem CID 142145306) has the molecular formula C27H35N5O2 and a molecular weight of 461.61 g/mol. Its IUPAC name is N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]benzamide;ethane.

Molecular Properties

Compound NameN-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]benzamide;ethane
PubChem CID142145306
Molecular FormulaC27H35N5O2
Molecular Weight461.61 g/mol
Exact Mass461.28
IUPAC NameN-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]benzamide;ethane
SMILESCC.CCCCc1nc2c(N)nc3ccccc3c2n1CCOCCNC(=O)c1ccccc1
InChIInChI=1S/C25H29N5O2.C2H6/c1-2-3-13-21-29-22-23(19-11-7-8-12-20(19)28-24(22)26)30(21)15-17-32-16-14-27-25(31)18-9-5-4-6-10-18;1-2/h4-12H,2-3,13-17H2,1H3,(H2,26,28)(H,27,31);1-2H3
InChIKeyVYJZFHQQPRQQLR-UHFFFAOYSA-N
XLogP4.98
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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
CID 20608822
N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl]benzamide
CID 23512725
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-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-2-phenylmethoxyacetamide
CID 20608837
2-amino-N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-5-(diaminomethylideneamino)pentanamide;ethane
CID 162737190
N-[2-[2-[4-amino-2-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]cyclopropanecarboxamide
CID 142145309
N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl]benzamide
CID 10410390
2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethylcarbamic acid
CID 90884300
2-butyl-1-[4-(ethylaminooxy)butyl]imidazo[4,5-c]quinolin-4-amine;ethane
CID 143008375
4-amino-N-[2-[2-[4-amino-2-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]butanamide
CID 142145311
N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-4-methylsulfonylbenzenesulfonamide
CID 20613699
2-butyl-1-[2-[2-(methylamino)ethoxy]ethyl]imidazo[4,5-c]quinolin-4-amine;ethane;formaldehyde;2-methylthiophene
CID 142145797

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]benzamide;ethane?
The IUPAC name of N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]benzamide;ethane (CID 142145306) is N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]benzamide;ethane.
What is the SMILES notation for N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]benzamide;ethane?
The canonical SMILES for N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]benzamide;ethane is CC.CCCCc1nc2c(N)nc3ccccc3c2n1CCOCCNC(=O)c1ccccc1.
What is the InChIKey of N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]benzamide;ethane?
The InChIKey is VYJZFHQQPRQQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2.C2H6/c1-2-3-13-21-29-22-23(19-11-7-8-12-20(19)28-24(22)26)30(21)15-17-32-16-14-27-25(31)18-9-5-4-6-10-18;1-2/h4-12H,2-3,13-17H2,1H3,(H2,26,28)(H,27,31);1-2H3.
What are the key properties of N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]benzamide;ethane?
N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]benzamide;ethane has a molecular weight of 461.61 g/mol, XLogP of 4.98, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]benzamide;ethane is sourced from PubChem (CID 142145306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).