2-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]benzamide

C24H27N5O — CID 68821910

IUPAC2-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]benzamide
SMILESCCCc1nc2c(N)nc3ccccc3c2n1CCCCc1ccccc1C(N)=O
InChIInChI=1S/C24H27N5O/c1-2-9-20-28-21-22(18-13-5-6-14-19(18)27-23(21)25)29(20)15-8-7-11-16-10-3-4-12-17(16)24(26)30/h3-6,10,12-14H,2,7-9,11,15H2,1H3,(H2,25,27)(H2,26,30)
InChIKeyIPJAXDIBNPDYEU-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.24
Rot. Bonds8

About 2-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]benzamide

2-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]benzamide (PubChem CID 68821910) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]benzamide.

Molecular Properties

Compound Name2-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]benzamide
PubChem CID68821910
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name2-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]benzamide
SMILESCCCc1nc2c(N)nc3ccccc3c2n1CCCCc1ccccc1C(N)=O
InChIInChI=1S/C24H27N5O/c1-2-9-20-28-21-22(18-13-5-6-14-19(18)27-23(21)25)29(20)15-8-7-11-16-10-3-4-12-17(16)24(26)30/h3-6,10,12-14H,2,7-9,11,15H2,1H3,(H2,25,27)(H2,26,30)
InChIKeyIPJAXDIBNPDYEU-UHFFFAOYSA-N
XLogP4.24
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.24
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-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butanoic acid
CID 141281240
1-(4-chlorobutyl)-2-propylimidazo[4,5-c]quinolin-4-amine
CID 22320471
1-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-1-methoxyurea
CID 58869094
2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
3-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoline-2-carboxamide
CID 68818570
2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]guanidine;hydrochloride
CID 126650986
3-[4-amino-1-(3-hydroxypropyl)imidazo[4,5-c]quinolin-2-yl]propanamide
CID 173109370
N-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]-1-methoxymethanesulfonamide
CID 91001458
[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]methanol
CID 138457331
1-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butan-2-ol
CID 143198142
1-butyl-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-4-amine
CID 175027745
N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl]benzamide
CID 23512725

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]benzamide?
The IUPAC name of 2-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]benzamide (CID 68821910) is 2-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]benzamide.
What is the SMILES notation for 2-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]benzamide?
The canonical SMILES for 2-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]benzamide is CCCc1nc2c(N)nc3ccccc3c2n1CCCCc1ccccc1C(N)=O.
What is the InChIKey of 2-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]benzamide?
The InChIKey is IPJAXDIBNPDYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c1-2-9-20-28-21-22(18-13-5-6-14-19(18)27-23(21)25)29(20)15-8-7-11-16-10-3-4-12-17(16)24(26)30/h3-6,10,12-14H,2,7-9,11,15H2,1H3,(H2,25,27)(H2,26,30).
What are the key properties of 2-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]benzamide?
2-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]benzamide has a molecular weight of 401.51 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]benzamide is sourced from PubChem (CID 68821910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).