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

C21H23ClN4O — CID 135818950

IUPACN-(4-butoxyphenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine;hydrochloride
SMILESCCCCOc1ccc(Nc2cc(C)[nH]c3ccc4ncnc4c23)cc1.Cl
InChIInChI=1S/C21H22N4O.ClH/c1-3-4-11-26-16-7-5-15(6-8-16)25-19-12-14(2)24-17-9-10-18-21(20(17)19)23-13-22-18;/h5-10,12-13,24-25H,3-4,11H2,1-2H3;1H
InChIKeyVLDFUSWASGPZFB-UHFFFAOYSA-N
MW382.90 g/mol
LogP5.76
Rot. Bonds6

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

N-(4-butoxyphenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine;hydrochloride (PubChem CID 135818950) has the molecular formula C21H23ClN4O and a molecular weight of 382.90 g/mol. Its IUPAC name is N-(4-butoxyphenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine;hydrochloride.

Molecular Properties

Compound NameN-(4-butoxyphenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine;hydrochloride
PubChem CID135818950
Molecular FormulaC21H23ClN4O
Molecular Weight382.90 g/mol
Exact Mass382.16
IUPAC NameN-(4-butoxyphenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine;hydrochloride
SMILESCCCCOc1ccc(Nc2cc(C)[nH]c3ccc4ncnc4c23)cc1.Cl
InChIInChI=1S/C21H22N4O.ClH/c1-3-4-11-26-16-7-5-15(6-8-16)25-19-12-14(2)24-17-9-10-18-21(20(17)19)23-13-22-18;/h5-10,12-13,24-25H,3-4,11H2,1-2H3;1H
InChIKeyVLDFUSWASGPZFB-UHFFFAOYSA-N
XLogP5.76
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.90
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(7-methyl-N-(4-propan-2-ylphenyl)-6H-imidazo[4,5-f]quinolin-9-amine);hydrate;dihydrochloride
CID 137220071
N-(3,4-dichlorophenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine;hydrochloride
CID 135819017
N-(3-chloro-4-ethoxyphenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine;hydrochloride
CID 135818936
N-(4-chloro-2-methylphenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine
CID 135819022
N-[(4-methoxyphenyl)methyl]-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine
CID 135818954
N-(4-methoxyphenyl)-7-phenyl-6H-imidazo[4,5-f]quinolin-9-amine
CID 135736219
N-(4-butoxyphenyl)-7-methyl-1H-pyrazolo[5,4-f]quinolin-9-amine;hydrochloride
CID 67765153
4-decoxy-N-(4-decoxyphenyl)aniline
CID 19796048
6-butoxy-2-methyl-1H-indole
CID 154112736
6-N-(4-butoxyphenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22547012
6-N-(4-butoxyphenyl)-4-N-(2,4-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19142974
6-ethyl-N-(4-hexoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21012213

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxyphenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine;hydrochloride?
The IUPAC name of N-(4-butoxyphenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine;hydrochloride (CID 135818950) is N-(4-butoxyphenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine;hydrochloride.
What is the SMILES notation for N-(4-butoxyphenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine;hydrochloride?
The canonical SMILES for N-(4-butoxyphenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine;hydrochloride is CCCCOc1ccc(Nc2cc(C)[nH]c3ccc4ncnc4c23)cc1.Cl.
What is the InChIKey of N-(4-butoxyphenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine;hydrochloride?
The InChIKey is VLDFUSWASGPZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O.ClH/c1-3-4-11-26-16-7-5-15(6-8-16)25-19-12-14(2)24-17-9-10-18-21(20(17)19)23-13-22-18;/h5-10,12-13,24-25H,3-4,11H2,1-2H3;1H.
What are the key properties of N-(4-butoxyphenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine;hydrochloride?
N-(4-butoxyphenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine;hydrochloride has a molecular weight of 382.90 g/mol, XLogP of 5.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxyphenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine;hydrochloride is sourced from PubChem (CID 135818950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).