N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]-4-(dimethylamino)-3,5-difluorobenzamide

C25H28F2N6O — CID 162372952

IUPACN-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]-4-(dimethylamino)-3,5-difluorobenzamide
SMILESCCc1nc2c(N)nc3ccccc3c2n1CCCCNC(=O)c1cc(F)c(N(C)C)c(F)c1
InChIInChI=1S/C25H28F2N6O/c1-4-20-31-21-22(16-9-5-6-10-19(16)30-24(21)28)33(20)12-8-7-11-29-25(34)15-13-17(26)23(32(2)3)18(27)14-15/h5-6,9-10,13-14H,4,7-8,11-12H2,1-3H3,(H2,28,30)(H,29,34)
InChIKeyYEWVEAYENQORSE-UHFFFAOYSA-N
MW466.54 g/mol
LogP4.28
Rot. Bonds8

About N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]-4-(dimethylamino)-3,5-difluorobenzamide

N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]-4-(dimethylamino)-3,5-difluorobenzamide (PubChem CID 162372952) has the molecular formula C25H28F2N6O and a molecular weight of 466.54 g/mol. Its IUPAC name is N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]-4-(dimethylamino)-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]-4-(dimethylamino)-3,5-difluorobenzamide
PubChem CID162372952
Molecular FormulaC25H28F2N6O
Molecular Weight466.54 g/mol
Exact Mass466.23
IUPAC NameN-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]-4-(dimethylamino)-3,5-difluorobenzamide
SMILESCCc1nc2c(N)nc3ccccc3c2n1CCCCNC(=O)c1cc(F)c(N(C)C)c(F)c1
InChIInChI=1S/C25H28F2N6O/c1-4-20-31-21-22(16-9-5-6-10-19(16)30-24(21)28)33(20)12-8-7-11-29-25(34)15-13-17(26)23(32(2)3)18(27)14-15/h5-6,9-10,13-14H,4,7-8,11-12H2,1-3H3,(H2,28,30)(H,29,34)
InChIKeyYEWVEAYENQORSE-UHFFFAOYSA-N
XLogP4.28
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]-4-(dimethylamino)-3,5-difluorobenzamide 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

N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]pyrazine-2-carboxamide
CID 154682733
N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl]benzamide
CID 23512725
N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]-3-[4-(dimethylamino)phenyl]-2-methylpropanamide
CID 162737247
1-[4-(ethenylamino)butyl]-2-ethylimidazo[4,5-c]quinolin-4-amine
CID 154682639
2-ethyl-1-propylimidazo[4,5-c]quinolin-4-amine
CID 143008317
N-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-4-[(diaminomethylideneamino)methyl]benzamide
CID 135317306
ethane;2-ethyl-1-propylimidazo[4,5-c]quinolin-4-amine
CID 143284639
N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]benzamide
CID 20608822
N-[4-(4-amino-2-ethylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-4-pyrrolidin-1-ylbenzamide
CID 154682588
N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]benzamide;ethane
CID 142145306
2-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)acetamide
CID 11623154
1-(4-butylsulfanylbutyl)-2-ethylimidazo[4,5-c]quinolin-4-amine
CID 10309036

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]-4-(dimethylamino)-3,5-difluorobenzamide?
The IUPAC name of N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]-4-(dimethylamino)-3,5-difluorobenzamide (CID 162372952) is N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]-4-(dimethylamino)-3,5-difluorobenzamide.
What is the SMILES notation for N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]-4-(dimethylamino)-3,5-difluorobenzamide?
The canonical SMILES for N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]-4-(dimethylamino)-3,5-difluorobenzamide is CCc1nc2c(N)nc3ccccc3c2n1CCCCNC(=O)c1cc(F)c(N(C)C)c(F)c1.
What is the InChIKey of N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]-4-(dimethylamino)-3,5-difluorobenzamide?
The InChIKey is YEWVEAYENQORSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N6O/c1-4-20-31-21-22(16-9-5-6-10-19(16)30-24(21)28)33(20)12-8-7-11-29-25(34)15-13-17(26)23(32(2)3)18(27)14-15/h5-6,9-10,13-14H,4,7-8,11-12H2,1-3H3,(H2,28,30)(H,29,34).
What are the key properties of N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]-4-(dimethylamino)-3,5-difluorobenzamide?
N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]-4-(dimethylamino)-3,5-difluorobenzamide has a molecular weight of 466.54 g/mol, XLogP of 4.28, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]-4-(dimethylamino)-3,5-difluorobenzamide is sourced from PubChem (CID 162372952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).