8-bromo-1-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[4,5-c]quinoline

C21H20BrN5 — CID 69157914

IUPAC8-bromo-1-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[4,5-c]quinoline
SMILESCN1CCN(c2ccc(-n3cnc4cnc5ccc(Br)cc5c43)cc2)CC1
InChIInChI=1S/C21H20BrN5/c1-25-8-10-26(11-9-25)16-3-5-17(6-4-16)27-14-24-20-13-23-19-7-2-15(22)12-18(19)21(20)27/h2-7,12-14H,8-11H2,1H3
InChIKeyIBOSOSRFIOROJO-UHFFFAOYSA-N
MW422.33 g/mol
LogP4.09
Rot. Bonds2

About 8-bromo-1-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[4,5-c]quinoline

8-bromo-1-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[4,5-c]quinoline (PubChem CID 69157914) has the molecular formula C21H20BrN5 and a molecular weight of 422.33 g/mol. Its IUPAC name is 8-bromo-1-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name8-bromo-1-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[4,5-c]quinoline
PubChem CID69157914
Molecular FormulaC21H20BrN5
Molecular Weight422.33 g/mol
Exact Mass421.09
IUPAC Name8-bromo-1-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[4,5-c]quinoline
SMILESCN1CCN(c2ccc(-n3cnc4cnc5ccc(Br)cc5c43)cc2)CC1
InChIInChI=1S/C21H20BrN5/c1-25-8-10-26(11-9-25)16-3-5-17(6-4-16)27-14-24-20-13-23-19-7-2-15(22)12-18(19)21(20)27/h2-7,12-14H,8-11H2,1H3
InChIKeyIBOSOSRFIOROJO-UHFFFAOYSA-N
XLogP4.09
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.33
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-bromo-3-(4-methylpiperazin-1-yl)quinazolin-4-one
CID 71037622
6-(4-methylpiperazin-1-yl)-3-[4-(trifluoromethyl)phenyl]quinazolin-4-one
CID 139668161
6-bromo-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinazoline
CID 87020711
8-bromo-1-[4-(2-isocyanopropan-2-yl)phenyl]imidazo[4,5-c]cinnoline
CID 123932244
6-bromo-4-N-(1-methylpiperidin-4-yl)quinoline-3,4-diamine
CID 43621313
8-chloro-1-(3-methylphenyl)imidazo[4,5-c]quinoline
CID 175243886
4-[2-(4-methylpiperazin-1-yl)purin-9-yl]phenol
CID 53385801
1-[4-(4-bromoimidazol-1-yl)phenyl]-4-methylpiperazine
CID 171101458
7-bromo-3-(4-methylpiperazin-1-yl)quinazolin-4-one
CID 156889140
3-(5-amino-2-methylphenyl)-6-(4-methylpiperazin-1-yl)quinazolin-4-one
CID 22238167
1-(2-fluorophenyl)-8-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[4,5-c]quinoline
CID 11328446
9-bromo-5-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-c]quinazoline
CID 58476063

Frequently Asked Questions

What is the IUPAC name of 8-bromo-1-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[4,5-c]quinoline?
The IUPAC name of 8-bromo-1-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[4,5-c]quinoline (CID 69157914) is 8-bromo-1-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[4,5-c]quinoline.
What is the SMILES notation for 8-bromo-1-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[4,5-c]quinoline?
The canonical SMILES for 8-bromo-1-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[4,5-c]quinoline is CN1CCN(c2ccc(-n3cnc4cnc5ccc(Br)cc5c43)cc2)CC1.
What is the InChIKey of 8-bromo-1-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[4,5-c]quinoline?
The InChIKey is IBOSOSRFIOROJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN5/c1-25-8-10-26(11-9-25)16-3-5-17(6-4-16)27-14-24-20-13-23-19-7-2-15(22)12-18(19)21(20)27/h2-7,12-14H,8-11H2,1H3.
What are the key properties of 8-bromo-1-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[4,5-c]quinoline?
8-bromo-1-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[4,5-c]quinoline has a molecular weight of 422.33 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[4,5-c]quinoline is sourced from PubChem (CID 69157914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).