N-(3,4-dichlorophenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine;hydrochloride

C17H13Cl3N4 — CID 135819017

IUPACN-(3,4-dichlorophenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine;hydrochloride
SMILESCc1cc(Nc2ccc(Cl)c(Cl)c2)c2c(ccc3ncnc32)[nH]1.Cl
InChIInChI=1S/C17H12Cl2N4.ClH/c1-9-6-15(23-10-2-3-11(18)12(19)7-10)16-13(22-9)4-5-14-17(16)21-8-20-14;/h2-8,22-23H,1H3;1H
InChIKeyHTBXRDQHEPQDOD-UHFFFAOYSA-N
MW379.68 g/mol
LogP5.89
Rot. Bonds2

About N-(3,4-dichlorophenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine;hydrochloride

N-(3,4-dichlorophenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine;hydrochloride (PubChem CID 135819017) has the molecular formula C17H13Cl3N4 and a molecular weight of 379.68 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine;hydrochloride.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine;hydrochloride
PubChem CID135819017
Molecular FormulaC17H13Cl3N4
Molecular Weight379.68 g/mol
Exact Mass378.02
IUPAC NameN-(3,4-dichlorophenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine;hydrochloride
SMILESCc1cc(Nc2ccc(Cl)c(Cl)c2)c2c(ccc3ncnc32)[nH]1.Cl
InChIInChI=1S/C17H12Cl2N4.ClH/c1-9-6-15(23-10-2-3-11(18)12(19)7-10)16-13(22-9)4-5-14-17(16)21-8-20-14;/h2-8,22-23H,1H3;1H
InChIKeyHTBXRDQHEPQDOD-UHFFFAOYSA-N
XLogP5.89
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.68
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine
CID 135819020
N-(3-chloro-4-ethoxyphenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine;hydrochloride
CID 135818936
bis(N-(3-chloro-4-pyrrolidin-1-ylphenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine);hydrate;dihydrochloride
CID 173461192
bis(7-methyl-N-(4-propan-2-ylphenyl)-6H-imidazo[4,5-f]quinolin-9-amine);hydrate;dihydrochloride
CID 137220071
N-(1,3-benzodioxol-5-yl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine
CID 135818945
N-(4-butoxyphenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine;hydrochloride
CID 135818950
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
9-chloro-7-methyl-6H-pyrrolo[3,2-f]quinoline
CID 136921471
6-chloro-N-(3,4-dichlorophenyl)-2-methylquinolin-4-amine
CID 730833
2-N-(3,4-dichlorophenyl)-3H-benzimidazole-2,5-diamine;dihydrochloride
CID 24970676

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine;hydrochloride?
The IUPAC name of N-(3,4-dichlorophenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine;hydrochloride (CID 135819017) is N-(3,4-dichlorophenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine;hydrochloride.
What is the SMILES notation for N-(3,4-dichlorophenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine;hydrochloride?
The canonical SMILES for N-(3,4-dichlorophenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine;hydrochloride is Cc1cc(Nc2ccc(Cl)c(Cl)c2)c2c(ccc3ncnc32)[nH]1.Cl.
What is the InChIKey of N-(3,4-dichlorophenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine;hydrochloride?
The InChIKey is HTBXRDQHEPQDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N4.ClH/c1-9-6-15(23-10-2-3-11(18)12(19)7-10)16-13(22-9)4-5-14-17(16)21-8-20-14;/h2-8,22-23H,1H3;1H.
What are the key properties of N-(3,4-dichlorophenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine;hydrochloride?
N-(3,4-dichlorophenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine;hydrochloride has a molecular weight of 379.68 g/mol, XLogP of 5.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine;hydrochloride is sourced from PubChem (CID 135819017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).