3-chloro-7,12-dihydroquinoxalino[2,3-b]phenazine

C18H11ClN4 — CID 136704247

IUPAC3-chloro-7,12-dihydroquinoxalino[2,3-b]phenazine
SMILESClc1ccc2nc3cc4c(cc3nc2c1)Nc1ccccc1N4
InChIInChI=1S/C18H11ClN4/c19-10-5-6-13-14(7-10)23-18-9-16-15(8-17(18)22-13)20-11-3-1-2-4-12(11)21-16/h1-9,20-21H
InChIKeyMRPHHQOOZUUEOS-UHFFFAOYSA-N
MW318.77 g/mol
LogP5.24
Rot. Bonds

About 3-chloro-7,12-dihydroquinoxalino[2,3-b]phenazine

3-chloro-7,12-dihydroquinoxalino[2,3-b]phenazine (PubChem CID 136704247) has the molecular formula C18H11ClN4 and a molecular weight of 318.77 g/mol. Its IUPAC name is 3-chloro-7,12-dihydroquinoxalino[2,3-b]phenazine.

Molecular Properties

Compound Name3-chloro-7,12-dihydroquinoxalino[2,3-b]phenazine
PubChem CID136704247
Molecular FormulaC18H11ClN4
Molecular Weight318.77 g/mol
Exact Mass318.07
IUPAC Name3-chloro-7,12-dihydroquinoxalino[2,3-b]phenazine
SMILESClc1ccc2nc3cc4c(cc3nc2c1)Nc1ccccc1N4
InChIInChI=1S/C18H11ClN4/c19-10-5-6-13-14(7-10)23-18-9-16-15(8-17(18)22-13)20-11-3-1-2-4-12(11)21-16/h1-9,20-21H
InChIKeyMRPHHQOOZUUEOS-UHFFFAOYSA-N
XLogP5.24
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.77
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-5,14-dihydroquinoxalino[2,3-b]phenazine
CID 70992291
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CID 119028483
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CID 132520838
2,3,8-trichloroquinoxalino[2,3-b]quinoxaline
CID 101466553
1,3,8-trichlorophenazine
CID 154716543
9-chloro-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
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3-chloro-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one;ethane
CID 142815954
2,6-dichloro-3-pyridin-2-ylquinoxaline
CID 556140
4-(7-chloro-3-phenylquinoxalin-2-yl)phenol
CID 136805911
7-chlorophenazine-2-sulfonamide
CID 121010927
2-chloro-11H-benzo[b][1]benzazepine
CID 614921
2-(6-chloro-3-phenacylquinoxalin-2-yl)-1-phenylethanone
CID 5064209

Frequently Asked Questions

What is the IUPAC name of 3-chloro-7,12-dihydroquinoxalino[2,3-b]phenazine?
The IUPAC name of 3-chloro-7,12-dihydroquinoxalino[2,3-b]phenazine (CID 136704247) is 3-chloro-7,12-dihydroquinoxalino[2,3-b]phenazine.
What is the SMILES notation for 3-chloro-7,12-dihydroquinoxalino[2,3-b]phenazine?
The canonical SMILES for 3-chloro-7,12-dihydroquinoxalino[2,3-b]phenazine is Clc1ccc2nc3cc4c(cc3nc2c1)Nc1ccccc1N4.
What is the InChIKey of 3-chloro-7,12-dihydroquinoxalino[2,3-b]phenazine?
The InChIKey is MRPHHQOOZUUEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN4/c19-10-5-6-13-14(7-10)23-18-9-16-15(8-17(18)22-13)20-11-3-1-2-4-12(11)21-16/h1-9,20-21H.
What are the key properties of 3-chloro-7,12-dihydroquinoxalino[2,3-b]phenazine?
3-chloro-7,12-dihydroquinoxalino[2,3-b]phenazine has a molecular weight of 318.77 g/mol, XLogP of 5.24, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7,12-dihydroquinoxalino[2,3-b]phenazine is sourced from PubChem (CID 136704247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).