4-bromo-6-nitro-3-phenylcinnoline

C14H8BrN3O2 — CID 15194096

IUPAC4-bromo-6-nitro-3-phenylcinnoline
SMILESO=[N+]([O-])c1ccc2nnc(-c3ccccc3)c(Br)c2c1
InChIInChI=1S/C14H8BrN3O2/c15-13-11-8-10(18(19)20)6-7-12(11)16-17-14(13)9-4-2-1-3-5-9/h1-8H
InChIKeySLCQRKFBGMVORA-UHFFFAOYSA-N
MW330.14 g/mol
LogP3.97
Rot. Bonds2

About 4-bromo-6-nitro-3-phenylcinnoline

4-bromo-6-nitro-3-phenylcinnoline (PubChem CID 15194096) has the molecular formula C14H8BrN3O2 and a molecular weight of 330.14 g/mol. Its IUPAC name is 4-bromo-6-nitro-3-phenylcinnoline.

Molecular Properties

Compound Name4-bromo-6-nitro-3-phenylcinnoline
PubChem CID15194096
Molecular FormulaC14H8BrN3O2
Molecular Weight330.14 g/mol
Exact Mass328.98
IUPAC Name4-bromo-6-nitro-3-phenylcinnoline
SMILESO=[N+]([O-])c1ccc2nnc(-c3ccccc3)c(Br)c2c1
InChIInChI=1S/C14H8BrN3O2/c15-13-11-8-10(18(19)20)6-7-12(11)16-17-14(13)9-4-2-1-3-5-9/h1-8H
InChIKeySLCQRKFBGMVORA-UHFFFAOYSA-N
XLogP3.97
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.14
LogP ≤ 53.97
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

2-methyl-6-nitro-4-phenylquinazoline
CID 4662097
6-nitro-3-phenyl-1,2,4-benzotriazine
CID 71332130
2-(4-methylphenyl)-6-nitro-4-phenylquinazoline
CID 102342967
5-nitro-3-phenyl-1,2-benzothiazole
CID 12614594
5-nitro-3-phenyl-1,2-benzoxazole
CID 762566
6-nitro-2-[3-(6-nitro-4-phenylquinolin-2-yl)phenyl]-4-phenylquinoline
CID 10650785
2-chloro-6-nitro-4-phenylquinoline
CID 21488599
6-nitro-4-phenyl-2-piperidin-1-ylquinazoline
CID 2893917
5-nitro-3-phenylindazol-1-amine
CID 134910169
2,4-dibromo-6-nitro-3-propan-2-ylquinoline
CID 86067596
6-nitro-3-phenyl-1,2,3-benzotriazin-4-one
CID 91824463
7-nitro-3-phenyl-1H-quinoxalin-2-one
CID 10754287

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-nitro-3-phenylcinnoline?
The IUPAC name of 4-bromo-6-nitro-3-phenylcinnoline (CID 15194096) is 4-bromo-6-nitro-3-phenylcinnoline.
What is the SMILES notation for 4-bromo-6-nitro-3-phenylcinnoline?
The canonical SMILES for 4-bromo-6-nitro-3-phenylcinnoline is O=[N+]([O-])c1ccc2nnc(-c3ccccc3)c(Br)c2c1.
What is the InChIKey of 4-bromo-6-nitro-3-phenylcinnoline?
The InChIKey is SLCQRKFBGMVORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrN3O2/c15-13-11-8-10(18(19)20)6-7-12(11)16-17-14(13)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 4-bromo-6-nitro-3-phenylcinnoline?
4-bromo-6-nitro-3-phenylcinnoline has a molecular weight of 330.14 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-nitro-3-phenylcinnoline is sourced from PubChem (CID 15194096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).