6-[4-(1-aminopropan-2-yl)imidazo[4,5-c]quinolin-1-yl]-N-propylhexanamide

C22H31N5O — CID 91506245

IUPAC6-[4-(1-aminopropan-2-yl)imidazo[4,5-c]quinolin-1-yl]-N-propylhexanamide
SMILESCCCNC(=O)CCCCCn1cnc2c(C(C)CN)nc3ccccc3c21
InChIInChI=1S/C22H31N5O/c1-3-12-24-19(28)11-5-4-8-13-27-15-25-21-20(16(2)14-23)26-18-10-7-6-9-17(18)22(21)27/h6-7,9-10,15-16H,3-5,8,11-14,23H2,1-2H3,(H,24,28)
InChIKeyLAGCGMATUBDXIU-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.73
Rot. Bonds10

About 6-[4-(1-aminopropan-2-yl)imidazo[4,5-c]quinolin-1-yl]-N-propylhexanamide

6-[4-(1-aminopropan-2-yl)imidazo[4,5-c]quinolin-1-yl]-N-propylhexanamide (PubChem CID 91506245) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is 6-[4-(1-aminopropan-2-yl)imidazo[4,5-c]quinolin-1-yl]-N-propylhexanamide.

Molecular Properties

Compound Name6-[4-(1-aminopropan-2-yl)imidazo[4,5-c]quinolin-1-yl]-N-propylhexanamide
PubChem CID91506245
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC Name6-[4-(1-aminopropan-2-yl)imidazo[4,5-c]quinolin-1-yl]-N-propylhexanamide
SMILESCCCNC(=O)CCCCCn1cnc2c(C(C)CN)nc3ccccc3c21
InChIInChI=1S/C22H31N5O/c1-3-12-24-19(28)11-5-4-8-13-27-15-25-21-20(16(2)14-23)26-18-10-7-6-9-17(18)22(21)27/h6-7,9-10,15-16H,3-5,8,11-14,23H2,1-2H3,(H,24,28)
InChIKeyLAGCGMATUBDXIU-UHFFFAOYSA-N
XLogP3.73
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(1-aminopropan-2-yl)imidazo[4,5-c]quinolin-1-yl]-N-methoxybutan-1-amine
CID 91258990
methyl 10-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butylamino]-10-oxodecanoate
CID 23381326
N-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]heptanamide
CID 162361130
1-hexadecylimidazo[4,5-c]quinolin-4-amine
CID 11418374
1-butylimidazo[4,5-c]quinoline-4-carboxamide
CID 25006952
4-[4-(1-aminopropan-2-yl)imidazo[4,5-c][1,5]naphthyridin-1-yl]-N-methoxybutan-1-amine
CID 91519763
1-[4-[4-(4-aminobutan-2-yl)imidazo[4,5-c][1,5]naphthyridin-1-yl]butyl]-3-butylurea
CID 54378483
N-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-2-phenoxypropanamide
CID 23512668
N-nonyl-4-(4-oxoquinazolin-3-yl)butanamide
CID 43052254
(2S)-N-[3-(4-aminoimidazo[4,5-c]quinolin-1-yl)propyl]-N'-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(3-dihexadecoxyphosphorylpropylamino)pentanediamide
CID 122591568
N-[8-(4-aminoimidazo[4,5-c]quinolin-1-yl)octyl]methanesulfonamide
CID 10362916
1-butylimidazo[4,5-c]quinoline-4-carboxamide;2-(methylamino)acetic acid;hydroiodide
CID 25006955

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-aminopropan-2-yl)imidazo[4,5-c]quinolin-1-yl]-N-propylhexanamide?
The IUPAC name of 6-[4-(1-aminopropan-2-yl)imidazo[4,5-c]quinolin-1-yl]-N-propylhexanamide (CID 91506245) is 6-[4-(1-aminopropan-2-yl)imidazo[4,5-c]quinolin-1-yl]-N-propylhexanamide.
What is the SMILES notation for 6-[4-(1-aminopropan-2-yl)imidazo[4,5-c]quinolin-1-yl]-N-propylhexanamide?
The canonical SMILES for 6-[4-(1-aminopropan-2-yl)imidazo[4,5-c]quinolin-1-yl]-N-propylhexanamide is CCCNC(=O)CCCCCn1cnc2c(C(C)CN)nc3ccccc3c21.
What is the InChIKey of 6-[4-(1-aminopropan-2-yl)imidazo[4,5-c]quinolin-1-yl]-N-propylhexanamide?
The InChIKey is LAGCGMATUBDXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c1-3-12-24-19(28)11-5-4-8-13-27-15-25-21-20(16(2)14-23)26-18-10-7-6-9-17(18)22(21)27/h6-7,9-10,15-16H,3-5,8,11-14,23H2,1-2H3,(H,24,28).
What are the key properties of 6-[4-(1-aminopropan-2-yl)imidazo[4,5-c]quinolin-1-yl]-N-propylhexanamide?
6-[4-(1-aminopropan-2-yl)imidazo[4,5-c]quinolin-1-yl]-N-propylhexanamide has a molecular weight of 381.52 g/mol, XLogP of 3.73, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-aminopropan-2-yl)imidazo[4,5-c]quinolin-1-yl]-N-propylhexanamide is sourced from PubChem (CID 91506245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).