4-chlorocinnolino[4,3-b]quinoxaline

C14H7ClN4 — CID 10445667

IUPAC4-chlorocinnolino[4,3-b]quinoxaline
SMILESClc1cccc2c1nnc1nc3ccccc3nc12
InChIInChI=1S/C14H7ClN4/c15-9-5-3-4-8-12(9)18-19-14-13(8)16-10-6-1-2-7-11(10)17-14/h1-7H
InChIKeyQGCVWTKCNLMVIY-UHFFFAOYSA-N
MW266.69 g/mol
LogP3.38
Rot. Bonds

About 4-chlorocinnolino[4,3-b]quinoxaline

4-chlorocinnolino[4,3-b]quinoxaline (PubChem CID 10445667) has the molecular formula C14H7ClN4 and a molecular weight of 266.69 g/mol. Its IUPAC name is 4-chlorocinnolino[4,3-b]quinoxaline.

Molecular Properties

Compound Name4-chlorocinnolino[4,3-b]quinoxaline
PubChem CID10445667
Molecular FormulaC14H7ClN4
Molecular Weight266.69 g/mol
Exact Mass266.04
IUPAC Name4-chlorocinnolino[4,3-b]quinoxaline
SMILESClc1cccc2c1nnc1nc3ccccc3nc12
InChIInChI=1S/C14H7ClN4/c15-9-5-3-4-8-12(9)18-19-14-13(8)16-10-6-1-2-7-11(10)17-14/h1-7H
InChIKeyQGCVWTKCNLMVIY-UHFFFAOYSA-N
XLogP3.38
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

10-chloro-9-methoxycinnolino[3,4-b]quinoxaline
CID 10447302
4-chloro-9-phenoxyacridine
CID 71390850
7-chloro-[1]benzothiolo[3,2-b]quinoxaline
CID 156801307
1-(2-chlorophenyl)phenazine
CID 175026808
15,17,24,26-tetrazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene
CID 6612188
1-bromo-10-chlorocinnolino[3,4-b]quinoxaline
CID 10641275
2,4-dichlorobenzotriazole
CID 168960354
1,4-dibromophenazine
CID 121006625
benzo[b]phenazine-6,11-dicarboxylic acid
CID 154692279
3,4-dichlorocinnoline
CID 14643415
1,2-dichlorobenzene;naphthalene
CID 162050769
8-chloro-4-methyl-3-[4-(trifluoromethyl)phenyl]cinnoline
CID 171826678

Frequently Asked Questions

What is the IUPAC name of 4-chlorocinnolino[4,3-b]quinoxaline?
The IUPAC name of 4-chlorocinnolino[4,3-b]quinoxaline (CID 10445667) is 4-chlorocinnolino[4,3-b]quinoxaline.
What is the SMILES notation for 4-chlorocinnolino[4,3-b]quinoxaline?
The canonical SMILES for 4-chlorocinnolino[4,3-b]quinoxaline is Clc1cccc2c1nnc1nc3ccccc3nc12.
What is the InChIKey of 4-chlorocinnolino[4,3-b]quinoxaline?
The InChIKey is QGCVWTKCNLMVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClN4/c15-9-5-3-4-8-12(9)18-19-14-13(8)16-10-6-1-2-7-11(10)17-14/h1-7H.
What are the key properties of 4-chlorocinnolino[4,3-b]quinoxaline?
4-chlorocinnolino[4,3-b]quinoxaline has a molecular weight of 266.69 g/mol, XLogP of 3.38, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorocinnolino[4,3-b]quinoxaline is sourced from PubChem (CID 10445667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).