N-(4-butylphenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine

C21H22N4 — CID 135508616

IUPACN-(4-butylphenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine
SMILESCCCCc1ccc(Nc2cc(C)[nH]c3ccc4ncnc4c23)cc1
InChIInChI=1S/C21H22N4/c1-3-4-5-15-6-8-16(9-7-15)25-19-12-14(2)24-17-10-11-18-21(20(17)19)23-13-22-18/h6-13,24-25H,3-5H2,1-2H3
InChIKeyBYGBSPYYOVDTRS-UHFFFAOYSA-N
MW330.44 g/mol
LogP5.51
Rot. Bonds5

About N-(4-butylphenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine

N-(4-butylphenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine (PubChem CID 135508616) has the molecular formula C21H22N4 and a molecular weight of 330.44 g/mol. Its IUPAC name is N-(4-butylphenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine.

Molecular Properties

Compound NameN-(4-butylphenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine
PubChem CID135508616
Molecular FormulaC21H22N4
Molecular Weight330.44 g/mol
Exact Mass330.18
IUPAC NameN-(4-butylphenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine
SMILESCCCCc1ccc(Nc2cc(C)[nH]c3ccc4ncnc4c23)cc1
InChIInChI=1S/C21H22N4/c1-3-4-5-15-6-8-16(9-7-15)25-19-12-14(2)24-17-10-11-18-21(20(17)19)23-13-22-18/h6-13,24-25H,3-5H2,1-2H3
InChIKeyBYGBSPYYOVDTRS-UHFFFAOYSA-N
XLogP5.51
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.44
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine?
The IUPAC name of N-(4-butylphenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine (CID 135508616) is N-(4-butylphenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine.
What is the SMILES notation for N-(4-butylphenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine?
The canonical SMILES for N-(4-butylphenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine is CCCCc1ccc(Nc2cc(C)[nH]c3ccc4ncnc4c23)cc1.
What is the InChIKey of N-(4-butylphenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine?
The InChIKey is BYGBSPYYOVDTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4/c1-3-4-5-15-6-8-16(9-7-15)25-19-12-14(2)24-17-10-11-18-21(20(17)19)23-13-22-18/h6-13,24-25H,3-5H2,1-2H3.
What are the key properties of N-(4-butylphenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine?
N-(4-butylphenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine has a molecular weight of 330.44 g/mol, XLogP of 5.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine is sourced from PubChem (CID 135508616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).