7-bromo-2-(2-chlorophenyl)-N,N-dimethyl-3H-imidazo[4,5-c]quinolin-4-amine

C18H14BrClN4 — CID 71583874

IUPAC7-bromo-2-(2-chlorophenyl)-N,N-dimethyl-3H-imidazo[4,5-c]quinolin-4-amine
SMILESCN(C)c1nc2cc(Br)ccc2c2nc(-c3ccccc3Cl)[nH]c12
InChIInChI=1S/C18H14BrClN4/c1-24(2)18-16-15(12-8-7-10(19)9-14(12)21-18)22-17(23-16)11-5-3-4-6-13(11)20/h3-9H,1-2H3,(H,22,23)
InChIKeyLFPFNTSUIHOZFE-UHFFFAOYSA-N
MW401.70 g/mol
LogP5.26
Rot. Bonds2

About 7-bromo-2-(2-chlorophenyl)-N,N-dimethyl-3H-imidazo[4,5-c]quinolin-4-amine

7-bromo-2-(2-chlorophenyl)-N,N-dimethyl-3H-imidazo[4,5-c]quinolin-4-amine (PubChem CID 71583874) has the molecular formula C18H14BrClN4 and a molecular weight of 401.70 g/mol. Its IUPAC name is 7-bromo-2-(2-chlorophenyl)-N,N-dimethyl-3H-imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name7-bromo-2-(2-chlorophenyl)-N,N-dimethyl-3H-imidazo[4,5-c]quinolin-4-amine
PubChem CID71583874
Molecular FormulaC18H14BrClN4
Molecular Weight401.70 g/mol
Exact Mass400.01
IUPAC Name7-bromo-2-(2-chlorophenyl)-N,N-dimethyl-3H-imidazo[4,5-c]quinolin-4-amine
SMILESCN(C)c1nc2cc(Br)ccc2c2nc(-c3ccccc3Cl)[nH]c12
InChIInChI=1S/C18H14BrClN4/c1-24(2)18-16-15(12-8-7-10(19)9-14(12)21-18)22-17(23-16)11-5-3-4-6-13(11)20/h3-9H,1-2H3,(H,22,23)
InChIKeyLFPFNTSUIHOZFE-UHFFFAOYSA-N
XLogP5.26
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.70
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-2-methyl-1H-imidazo[4,5-g]quinazolin-8-amine
CID 5328233
N-(3-bromophenyl)-5H-pyrimido[5,4-b]indol-4-amine
CID 5328385
N-(3-bromophenyl)-5-methyl-5H-pyrimido[5,4-b]indol-4-amine
CID 5328386
N4-(3-bromophenyl)-6-(2,4-dichlorobenzyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 3008956
6-(2-Chloro-phenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 10808680
N-(3-bromophenyl)-5-methylpyrimido[5,4-b]indol-4-amine;hydrochloride
CID 18184369
4-(3-Bromoanilino)indolo[3,2-d]pyrimidine hydrochloride
CID 18184420
N-(3-bromophenyl)-2-methyl-9H-pyrimido[4,5-b]indol-4-amine
CID 5328395
N-(2-chloro-6H-indolo[2,3-b]quinolin-11-yl)-N',N'-dimethylethane-1,2-diamine
CID 42637593
2-(2-chlorophenyl)-3H-imidazo[4,5-f]quinazoline-7,9-diamine
CID 44531763
7-bromo-2-(2-bromophenyl)-3H-imidazo[4,5-c]quinoline
CID 57390737
7-bromo-2-(2-methylphenyl)-3H-imidazo[4,5-c]quinoline
CID 57399484

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(2-chlorophenyl)-N,N-dimethyl-3H-imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 7-bromo-2-(2-chlorophenyl)-N,N-dimethyl-3H-imidazo[4,5-c]quinolin-4-amine (CID 71583874) is 7-bromo-2-(2-chlorophenyl)-N,N-dimethyl-3H-imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 7-bromo-2-(2-chlorophenyl)-N,N-dimethyl-3H-imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 7-bromo-2-(2-chlorophenyl)-N,N-dimethyl-3H-imidazo[4,5-c]quinolin-4-amine is CN(C)c1nc2cc(Br)ccc2c2nc(-c3ccccc3Cl)[nH]c12.
What is the InChIKey of 7-bromo-2-(2-chlorophenyl)-N,N-dimethyl-3H-imidazo[4,5-c]quinolin-4-amine?
The InChIKey is LFPFNTSUIHOZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrClN4/c1-24(2)18-16-15(12-8-7-10(19)9-14(12)21-18)22-17(23-16)11-5-3-4-6-13(11)20/h3-9H,1-2H3,(H,22,23).
What are the key properties of 7-bromo-2-(2-chlorophenyl)-N,N-dimethyl-3H-imidazo[4,5-c]quinolin-4-amine?
7-bromo-2-(2-chlorophenyl)-N,N-dimethyl-3H-imidazo[4,5-c]quinolin-4-amine has a molecular weight of 401.70 g/mol, XLogP of 5.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(2-chlorophenyl)-N,N-dimethyl-3H-imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 71583874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).