2-(6-bromoquinolin-3-yl)-5-nitroquinoline

C18H10BrN3O2 — CID 12012860

IUPAC2-(6-bromoquinolin-3-yl)-5-nitroquinoline
SMILESO=[N+]([O-])c1cccc2nc(-c3cnc4ccc(Br)cc4c3)ccc12
InChIInChI=1S/C18H10BrN3O2/c19-13-4-6-15-11(9-13)8-12(10-20-15)16-7-5-14-17(21-16)2-1-3-18(14)22(23)24/h1-10H
InChIKeyZEJKYSBGTQKEHX-UHFFFAOYSA-N
MW380.20 g/mol
LogP5.12
Rot. Bonds2

About 2-(6-bromoquinolin-3-yl)-5-nitroquinoline

2-(6-bromoquinolin-3-yl)-5-nitroquinoline (PubChem CID 12012860) has the molecular formula C18H10BrN3O2 and a molecular weight of 380.20 g/mol. Its IUPAC name is 2-(6-bromoquinolin-3-yl)-5-nitroquinoline.

Molecular Properties

Compound Name2-(6-bromoquinolin-3-yl)-5-nitroquinoline
PubChem CID12012860
Molecular FormulaC18H10BrN3O2
Molecular Weight380.20 g/mol
Exact Mass379.00
IUPAC Name2-(6-bromoquinolin-3-yl)-5-nitroquinoline
SMILESO=[N+]([O-])c1cccc2nc(-c3cnc4ccc(Br)cc4c3)ccc12
InChIInChI=1S/C18H10BrN3O2/c19-13-4-6-15-11(9-13)8-12(10-20-15)16-7-5-14-17(21-16)2-1-3-18(14)22(23)24/h1-10H
InChIKeyZEJKYSBGTQKEHX-UHFFFAOYSA-N
XLogP5.12
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.20
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-methyl-2-(6-methylquinolin-3-yl)-5-nitroquinoline
CID 686690
2-(6-bromo-3-nitroquinolin-4-yl)acetic acid
CID 104571308
2-(7-chloro-1H-indol-3-yl)-5-nitroquinoline
CID 118449945
2-[(6-bromo-3-nitroquinolin-4-yl)amino]propanoic acid
CID 43621517
3-(6-bromo-3-nitroquinolin-4-yl)butan-2-ol
CID 55161443
6-bromo-4-(bromomethyl)-3-nitroquinoline
CID 138454031
6-bromo-2-hydroxynaphthalene-1-carbaldehyde;2-hydroxy-5-nitronaphthalene-1-carbaldehyde
CID 159092993
4-(3-bromophenoxy)-3-nitroquinoline
CID 103963835
(2R)-2-[2-[(6-bromo-2-tert-butyl-4-oxoquinazolin-3-yl)iminomethyl]-6-nitrophenoxy]propanoic acid
CID 126310683
6-bromo-1-(6-bromo-2-nitronaphthalen-1-yl)-2-nitronaphthalene
CID 168836213
2-(6-bromoquinolin-3-yl)oxyacetic acid
CID 171649153
(2S)-2-[2-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-6-nitrophenoxy]propanoic acid
CID 126297125

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromoquinolin-3-yl)-5-nitroquinoline?
The IUPAC name of 2-(6-bromoquinolin-3-yl)-5-nitroquinoline (CID 12012860) is 2-(6-bromoquinolin-3-yl)-5-nitroquinoline.
What is the SMILES notation for 2-(6-bromoquinolin-3-yl)-5-nitroquinoline?
The canonical SMILES for 2-(6-bromoquinolin-3-yl)-5-nitroquinoline is O=[N+]([O-])c1cccc2nc(-c3cnc4ccc(Br)cc4c3)ccc12.
What is the InChIKey of 2-(6-bromoquinolin-3-yl)-5-nitroquinoline?
The InChIKey is ZEJKYSBGTQKEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10BrN3O2/c19-13-4-6-15-11(9-13)8-12(10-20-15)16-7-5-14-17(21-16)2-1-3-18(14)22(23)24/h1-10H.
What are the key properties of 2-(6-bromoquinolin-3-yl)-5-nitroquinoline?
2-(6-bromoquinolin-3-yl)-5-nitroquinoline has a molecular weight of 380.20 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromoquinolin-3-yl)-5-nitroquinoline is sourced from PubChem (CID 12012860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).