4-bromo-2-(methoxymethyl)-1-(2-methylpropyl)imidazo[4,5-c]quinolin-8-ol

C16H18BrN3O2 — CID 86626170

IUPAC4-bromo-2-(methoxymethyl)-1-(2-methylpropyl)imidazo[4,5-c]quinolin-8-ol
SMILESCOCc1nc2c(Br)nc3ccc(O)cc3c2n1CC(C)C
InChIInChI=1S/C16H18BrN3O2/c1-9(2)7-20-13(8-22-3)19-14-15(20)11-6-10(21)4-5-12(11)18-16(14)17/h4-6,9,21H,7-8H2,1-3H3
InChIKeyGPUMFBOFSCSQCL-UHFFFAOYSA-N
MW364.24 g/mol
LogP3.86
Rot. Bonds4

About 4-bromo-2-(methoxymethyl)-1-(2-methylpropyl)imidazo[4,5-c]quinolin-8-ol

4-bromo-2-(methoxymethyl)-1-(2-methylpropyl)imidazo[4,5-c]quinolin-8-ol (PubChem CID 86626170) has the molecular formula C16H18BrN3O2 and a molecular weight of 364.24 g/mol. Its IUPAC name is 4-bromo-2-(methoxymethyl)-1-(2-methylpropyl)imidazo[4,5-c]quinolin-8-ol.

Molecular Properties

Compound Name4-bromo-2-(methoxymethyl)-1-(2-methylpropyl)imidazo[4,5-c]quinolin-8-ol
PubChem CID86626170
Molecular FormulaC16H18BrN3O2
Molecular Weight364.24 g/mol
Exact Mass363.06
IUPAC Name4-bromo-2-(methoxymethyl)-1-(2-methylpropyl)imidazo[4,5-c]quinolin-8-ol
SMILESCOCc1nc2c(Br)nc3ccc(O)cc3c2n1CC(C)C
InChIInChI=1S/C16H18BrN3O2/c1-9(2)7-20-13(8-22-3)19-14-15(20)11-6-10(21)4-5-12(11)18-16(14)17/h4-6,9,21H,7-8H2,1-3H3
InChIKeyGPUMFBOFSCSQCL-UHFFFAOYSA-N
XLogP3.86
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-[(4-Amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenol
CID 147146913
6H-Indolo[2,3-b]quinoxaline-6-ethanamine,N,N,2,3-tetramethyl-
CID 9927659
4-Amino-1-(2-methylpropyl)imidazo[4,5-c]quinolin-8-ol
CID 11265331
4-Amino-1-(2-methylpropyl)imidazo[4,5-c]quinolin-6-ol
CID 11482261
(11R)-6-amino-11-(1-fluoro-1-methylethyl)-10,11-dihydro-8H-[1,4]oxazino[4',3':1,2]imidazo[4,5-c]quinolin-3-ol
CID 135475882
(16S)-9-amino-16-(2-fluoropropan-2-yl)-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,11-hexaen-5-ol
CID 135582794
(11S)-2-(Benzyloxy)-11-isopropyl-10,11-dihydro-8H-[1,4]oxazino[4',3':1,2]imidazo[4,5-c]quinolin-6-amine
CID 11531190
6-[2-(Dimethylamino)ethyl]indolo[3,2-b]quinoxalin-9-ol
CID 12043853
4-Amino-2-methyl-1-(4-methylsulfanylbutyl)imidazo[4,5-c]quinolin-8-ol
CID 22320487
3-(9-Butan-2-yl-8-ethyl-2-morpholin-4-ylpurin-6-yl)phenol
CID 25255159
3-(8-Bromo-9-sec-butyl-2-morpholin-4-yl-9H-purin-6-yl)-phenol
CID 25255258
3-[9-Butan-2-yl-8-(dimethylamino)-2-morpholin-4-ylpurin-6-yl]phenol
CID 25255262

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(methoxymethyl)-1-(2-methylpropyl)imidazo[4,5-c]quinolin-8-ol?
The IUPAC name of 4-bromo-2-(methoxymethyl)-1-(2-methylpropyl)imidazo[4,5-c]quinolin-8-ol (CID 86626170) is 4-bromo-2-(methoxymethyl)-1-(2-methylpropyl)imidazo[4,5-c]quinolin-8-ol.
What is the SMILES notation for 4-bromo-2-(methoxymethyl)-1-(2-methylpropyl)imidazo[4,5-c]quinolin-8-ol?
The canonical SMILES for 4-bromo-2-(methoxymethyl)-1-(2-methylpropyl)imidazo[4,5-c]quinolin-8-ol is COCc1nc2c(Br)nc3ccc(O)cc3c2n1CC(C)C.
What is the InChIKey of 4-bromo-2-(methoxymethyl)-1-(2-methylpropyl)imidazo[4,5-c]quinolin-8-ol?
The InChIKey is GPUMFBOFSCSQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O2/c1-9(2)7-20-13(8-22-3)19-14-15(20)11-6-10(21)4-5-12(11)18-16(14)17/h4-6,9,21H,7-8H2,1-3H3.
What are the key properties of 4-bromo-2-(methoxymethyl)-1-(2-methylpropyl)imidazo[4,5-c]quinolin-8-ol?
4-bromo-2-(methoxymethyl)-1-(2-methylpropyl)imidazo[4,5-c]quinolin-8-ol has a molecular weight of 364.24 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(methoxymethyl)-1-(2-methylpropyl)imidazo[4,5-c]quinolin-8-ol is sourced from PubChem (CID 86626170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).