7-[(4-aminophenyl)methyl]-2-butyl-3H-imidazo[4,5-c]quinolin-4-amine

C21H23N5 — CID 164926397

IUPAC7-[(4-aminophenyl)methyl]-2-butyl-3H-imidazo[4,5-c]quinolin-4-amine
SMILESCCCCc1nc2c([nH]1)c(N)nc1cc(Cc3ccc(N)cc3)ccc12
InChIInChI=1S/C21H23N5/c1-2-3-4-18-25-19-16-10-7-14(11-13-5-8-15(22)9-6-13)12-17(16)24-21(23)20(19)26-18/h5-10,12H,2-4,11,22H2,1H3,(H2,23,24)(H,25,26)
InChIKeyUEHZKLBPDFHREA-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.21
Rot. Bonds5

About 7-[(4-aminophenyl)methyl]-2-butyl-3H-imidazo[4,5-c]quinolin-4-amine

7-[(4-aminophenyl)methyl]-2-butyl-3H-imidazo[4,5-c]quinolin-4-amine (PubChem CID 164926397) has the molecular formula C21H23N5 and a molecular weight of 345.45 g/mol. Its IUPAC name is 7-[(4-aminophenyl)methyl]-2-butyl-3H-imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name7-[(4-aminophenyl)methyl]-2-butyl-3H-imidazo[4,5-c]quinolin-4-amine
PubChem CID164926397
Molecular FormulaC21H23N5
Molecular Weight345.45 g/mol
Exact Mass345.20
IUPAC Name7-[(4-aminophenyl)methyl]-2-butyl-3H-imidazo[4,5-c]quinolin-4-amine
SMILESCCCCc1nc2c([nH]1)c(N)nc1cc(Cc3ccc(N)cc3)ccc12
InChIInChI=1S/C21H23N5/c1-2-3-4-18-25-19-16-10-7-14(11-13-5-8-15(22)9-6-13)12-17(16)24-21(23)20(19)26-18/h5-10,12H,2-4,11,22H2,1H3,(H2,23,24)(H,25,26)
InChIKeyUEHZKLBPDFHREA-UHFFFAOYSA-N
XLogP4.21
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-butyl-7-propan-2-yl-3H-imidazo[4,5-c]quinolin-4-amine
CID 158069633
S-methyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)pentyl-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanethioate
CID 164973843
3-[4-amino-7-(trifluoromethyl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol
CID 138607527
4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)pentyl-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one;(2,3,5,6-tetrafluorophenyl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)pentyl-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 162037190
3-[4-amino-2-(3-hydroxypropyl)-3H-imidazo[4,5-c]quinolin-7-yl]phenol
CID 138607621
3-[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol
CID 138584377
5-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)pentyl-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-dimethylazanium;5-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)pentyl-dimethyl-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]azanium;2,3,5,6-tetrafluorophenol
CID 165002987
3-[4-amino-7-(3-fluorophenyl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol
CID 138584372
3-(4-amino-7-cyclohexyl-3H-imidazo[4,5-c]quinolin-2-yl)propan-1-ol
CID 138584388
3-(4-amino-7,8-dichloro-3H-imidazo[4,5-c]quinolin-2-yl)propan-1-ol
CID 138607476
2-butyl-N,7-dimethyl-3H-imidazo[4,5-c]quinolin-4-amine;ethane;formic acid
CID 170766292
4-[[4-[[4-[[4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]-3-butylphenyl]methyl]phenyl]methyl]phenyl]methyl]aniline
CID 22920870

Frequently Asked Questions

What is the IUPAC name of 7-[(4-aminophenyl)methyl]-2-butyl-3H-imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 7-[(4-aminophenyl)methyl]-2-butyl-3H-imidazo[4,5-c]quinolin-4-amine (CID 164926397) is 7-[(4-aminophenyl)methyl]-2-butyl-3H-imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 7-[(4-aminophenyl)methyl]-2-butyl-3H-imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 7-[(4-aminophenyl)methyl]-2-butyl-3H-imidazo[4,5-c]quinolin-4-amine is CCCCc1nc2c([nH]1)c(N)nc1cc(Cc3ccc(N)cc3)ccc12.
What is the InChIKey of 7-[(4-aminophenyl)methyl]-2-butyl-3H-imidazo[4,5-c]quinolin-4-amine?
The InChIKey is UEHZKLBPDFHREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5/c1-2-3-4-18-25-19-16-10-7-14(11-13-5-8-15(22)9-6-13)12-17(16)24-21(23)20(19)26-18/h5-10,12H,2-4,11,22H2,1H3,(H2,23,24)(H,25,26).
What are the key properties of 7-[(4-aminophenyl)methyl]-2-butyl-3H-imidazo[4,5-c]quinolin-4-amine?
7-[(4-aminophenyl)methyl]-2-butyl-3H-imidazo[4,5-c]quinolin-4-amine has a molecular weight of 345.45 g/mol, XLogP of 4.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-aminophenyl)methyl]-2-butyl-3H-imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 164926397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).