N-(3-chloro-4-fluorophenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine

C17H12ClFN4 — CID 135819020

IUPACN-(3-chloro-4-fluorophenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine
SMILESCc1cc(Nc2ccc(F)c(Cl)c2)c2c(ccc3ncnc32)[nH]1
InChIInChI=1S/C17H12ClFN4/c1-9-6-15(23-10-2-3-12(19)11(18)7-10)16-13(22-9)4-5-14-17(16)21-8-20-14/h2-8,22-23H,1H3
InChIKeySDQBXBYNDXPMLL-UHFFFAOYSA-N
MW326.76 g/mol
LogP4.96
Rot. Bonds2

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

N-(3-chloro-4-fluorophenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine (PubChem CID 135819020) has the molecular formula C17H12ClFN4 and a molecular weight of 326.76 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine
PubChem CID135819020
Molecular FormulaC17H12ClFN4
Molecular Weight326.76 g/mol
Exact Mass326.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine
SMILESCc1cc(Nc2ccc(F)c(Cl)c2)c2c(ccc3ncnc32)[nH]1
InChIInChI=1S/C17H12ClFN4/c1-9-6-15(23-10-2-3-12(19)11(18)7-10)16-13(22-9)4-5-14-17(16)21-8-20-14/h2-8,22-23H,1H3
InChIKeySDQBXBYNDXPMLL-UHFFFAOYSA-N
XLogP4.96
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.76
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
bis(N-(3-chloro-4-pyrrolidin-1-ylphenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine);hydrate;dihydrochloride
CID 173461192
N-(4-chloro-2-methylphenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine
CID 135819022
N-(1,3-benzodioxol-5-yl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine
CID 135818945
N-(3-chloro-4-fluorophenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430592
N-(3-chloro-4-fluorophenyl)-6-methylpyrimido[5,4-d]pyrimidin-4-amine
CID 19709246
N-(3-chloro-4-fluorophenyl)quinazolin-4-amine
CID 725409
4-N-(3-chloro-4-fluorophenyl)quinazoline-4,6-diamine;hydrochloride
CID 21217673
N-(3-chloro-4-fluorophenyl)-5-methylpyrimidin-2-amine
CID 63208281
6-N-(3-chloro-4-fluorophenyl)-4-N-(3,4-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22546908
7-chloro-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine
CID 19001458

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine (CID 135819020) is N-(3-chloro-4-fluorophenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine is Cc1cc(Nc2ccc(F)c(Cl)c2)c2c(ccc3ncnc32)[nH]1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine?
The InChIKey is SDQBXBYNDXPMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN4/c1-9-6-15(23-10-2-3-12(19)11(18)7-10)16-13(22-9)4-5-14-17(16)21-8-20-14/h2-8,22-23H,1H3.
What are the key properties of N-(3-chloro-4-fluorophenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine?
N-(3-chloro-4-fluorophenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine has a molecular weight of 326.76 g/mol, XLogP of 4.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-7-methyl-6H-imidazo[4,5-f]quinolin-9-amine is sourced from PubChem (CID 135819020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).