N-[3-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)propyl]butanamide

C18H23N5O — CID 23512673

IUPACN-[3-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)propyl]butanamide
SMILESCCCC(=O)NCCCn1c(C)nc2c(N)nc3ccccc3c21
InChIInChI=1S/C18H23N5O/c1-3-7-15(24)20-10-6-11-23-12(2)21-16-17(23)13-8-4-5-9-14(13)22-18(16)19/h4-5,8-9H,3,6-7,10-11H2,1-2H3,(H2,19,22)(H,20,24)
InChIKeyGBNHLYAFWGOPDS-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.78
Rot. Bonds6

About N-[3-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)propyl]butanamide

N-[3-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)propyl]butanamide (PubChem CID 23512673) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N-[3-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)propyl]butanamide.

Molecular Properties

Compound NameN-[3-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)propyl]butanamide
PubChem CID23512673
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN-[3-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)propyl]butanamide
SMILESCCCC(=O)NCCCn1c(C)nc2c(N)nc3ccccc3c21
InChIInChI=1S/C18H23N5O/c1-3-7-15(24)20-10-6-11-23-12(2)21-16-17(23)13-8-4-5-9-14(13)22-18(16)19/h4-5,8-9H,3,6-7,10-11H2,1-2H3,(H2,19,22)(H,20,24)
InChIKeyGBNHLYAFWGOPDS-UHFFFAOYSA-N
XLogP2.78
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.78
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

N-[4-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)butyl]-2-methylpropanamide
CID 23512692
4-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]-4-oxobutanoic acid
CID 135137543
N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-N'-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanediamide
CID 167295895
N-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl]-2-chloroacetamide
CID 172692306
N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl]benzamide
CID 23512725
N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-N'-[2-[[2-[[2-[(10-aminocyclodeca-1,3,5,7,9-pentaen-1-yl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanediamide
CID 167295850
4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butanoic acid
CID 141281240
N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-4-[[5-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]-2-cyano-5-oxopentan-2-yl]diazenyl]-4-cyanopentanamide
CID 155223008
N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)propanamide
CID 145439399
[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]methanol
CID 138457331
1-butyl-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-4-amine
CID 175027745
N,N'-bis[[4-[(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-3-methylhexanediamide
CID 130419601

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)propyl]butanamide?
The IUPAC name of N-[3-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)propyl]butanamide (CID 23512673) is N-[3-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)propyl]butanamide.
What is the SMILES notation for N-[3-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)propyl]butanamide?
The canonical SMILES for N-[3-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)propyl]butanamide is CCCC(=O)NCCCn1c(C)nc2c(N)nc3ccccc3c21.
What is the InChIKey of N-[3-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)propyl]butanamide?
The InChIKey is GBNHLYAFWGOPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-3-7-15(24)20-10-6-11-23-12(2)21-16-17(23)13-8-4-5-9-14(13)22-18(16)19/h4-5,8-9H,3,6-7,10-11H2,1-2H3,(H2,19,22)(H,20,24).
What are the key properties of N-[3-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)propyl]butanamide?
N-[3-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)propyl]butanamide has a molecular weight of 325.42 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)propyl]butanamide is sourced from PubChem (CID 23512673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).