2-(5-imidazo[4,5-c]quinolin-1-ylpentyl)benzamide

C22H22N4O — CID 68822229

IUPAC2-(5-imidazo[4,5-c]quinolin-1-ylpentyl)benzamide
SMILESNC(=O)c1ccccc1CCCCCn1cnc2cnc3ccccc3c21
InChIInChI=1S/C22H22N4O/c23-22(27)17-10-4-3-9-16(17)8-2-1-7-13-26-15-25-20-14-24-19-12-6-5-11-18(19)21(20)26/h3-6,9-12,14-15H,1-2,7-8,13H2,(H2,23,27)
InChIKeyCQTQIXWLGGISOH-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.10
Rot. Bonds7

About 2-(5-imidazo[4,5-c]quinolin-1-ylpentyl)benzamide

2-(5-imidazo[4,5-c]quinolin-1-ylpentyl)benzamide (PubChem CID 68822229) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 2-(5-imidazo[4,5-c]quinolin-1-ylpentyl)benzamide.

Molecular Properties

Compound Name2-(5-imidazo[4,5-c]quinolin-1-ylpentyl)benzamide
PubChem CID68822229
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name2-(5-imidazo[4,5-c]quinolin-1-ylpentyl)benzamide
SMILESNC(=O)c1ccccc1CCCCCn1cnc2cnc3ccccc3c21
InChIInChI=1S/C22H22N4O/c23-22(27)17-10-4-3-9-16(17)8-2-1-7-13-26-15-25-20-14-24-19-12-6-5-11-18(19)21(20)26/h3-6,9-12,14-15H,1-2,7-8,13H2,(H2,23,27)
InChIKeyCQTQIXWLGGISOH-UHFFFAOYSA-N
XLogP4.10
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-imidazo[4,5-c]quinolin-1-ylnonan-1-ol
CID 118583730
1-(5-chloropentyl)imidazo[4,5-c]quinoline;oxirane
CID 87651338
1-(5-phenylsulfanylpentyl)imidazo[4,5-c]quinoline
CID 22320531
2-(3-imidazo[4,5-c]quinolin-1-ylpropyl)isoindole-1,3-dione
CID 90160720
2-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-4-(chloromethyl)benzamide
CID 68819765
2-octylbenzamide
CID 11148995
2-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]benzamide
CID 68821910
2-(3-chloropropyl)benzamide
CID 135741565
2-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-3-cyanobenzamide
CID 68819953
1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline
CID 18760176
3-(5-aminopentyl)quinazolin-4-one
CID 54965918
1-butylimidazo[4,5-c]quinoline-4-carboxamide
CID 25006952

Frequently Asked Questions

What is the IUPAC name of 2-(5-imidazo[4,5-c]quinolin-1-ylpentyl)benzamide?
The IUPAC name of 2-(5-imidazo[4,5-c]quinolin-1-ylpentyl)benzamide (CID 68822229) is 2-(5-imidazo[4,5-c]quinolin-1-ylpentyl)benzamide.
What is the SMILES notation for 2-(5-imidazo[4,5-c]quinolin-1-ylpentyl)benzamide?
The canonical SMILES for 2-(5-imidazo[4,5-c]quinolin-1-ylpentyl)benzamide is NC(=O)c1ccccc1CCCCCn1cnc2cnc3ccccc3c21.
What is the InChIKey of 2-(5-imidazo[4,5-c]quinolin-1-ylpentyl)benzamide?
The InChIKey is CQTQIXWLGGISOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c23-22(27)17-10-4-3-9-16(17)8-2-1-7-13-26-15-25-20-14-24-19-12-6-5-11-18(19)21(20)26/h3-6,9-12,14-15H,1-2,7-8,13H2,(H2,23,27).
What are the key properties of 2-(5-imidazo[4,5-c]quinolin-1-ylpentyl)benzamide?
2-(5-imidazo[4,5-c]quinolin-1-ylpentyl)benzamide has a molecular weight of 358.45 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-imidazo[4,5-c]quinolin-1-ylpentyl)benzamide is sourced from PubChem (CID 68822229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).