methyl 7-chlorophenazine-2-carboxylate

C14H9ClN2O2 — CID 154715967

IUPACmethyl 7-chlorophenazine-2-carboxylate
SMILESCOC(=O)c1ccc2nc3cc(Cl)ccc3nc2c1
InChIInChI=1S/C14H9ClN2O2/c1-19-14(18)8-2-4-10-12(6-8)16-11-5-3-9(15)7-13(11)17-10/h2-7H,1H3
InChIKeyOWBHUWJVRKXAFQ-UHFFFAOYSA-N
MW272.69 g/mol
LogP3.22
Rot. Bonds1

About methyl 7-chlorophenazine-2-carboxylate

methyl 7-chlorophenazine-2-carboxylate (PubChem CID 154715967) has the molecular formula C14H9ClN2O2 and a molecular weight of 272.69 g/mol. Its IUPAC name is methyl 7-chlorophenazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-chlorophenazine-2-carboxylate
PubChem CID154715967
Molecular FormulaC14H9ClN2O2
Molecular Weight272.69 g/mol
Exact Mass272.04
IUPAC Namemethyl 7-chlorophenazine-2-carboxylate
SMILESCOC(=O)c1ccc2nc3cc(Cl)ccc3nc2c1
InChIInChI=1S/C14H9ClN2O2/c1-19-14(18)8-2-4-10-12(6-8)16-11-5-3-9(15)7-13(11)17-10/h2-7H,1H3
InChIKeyOWBHUWJVRKXAFQ-UHFFFAOYSA-N
XLogP3.22
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl phenazine-2-carboxylate
CID 617185
methyl 6-chloronaphthalene-2-carboxylate
CID 13384252
methyl 2-chloroquinoxaline-6-carboxylate
CID 131395472
methyl 3-(bromomethyl)-2-(4-chlorophenyl)quinoxaline-6-carboxylate
CID 67985840
methyl 3-[1-(5-chloro-1,3-benzothiazol-2-yl)ethenyl]benzoate
CID 19019497
methyl 2-chloro-3-(dicyanomethyl)quinoxaline-6-carboxylate
CID 168731145
methyl 3-(4-chlorobenzoyl)benzoate
CID 15984758
methyl 3-chloro-4-ethenylbenzoate
CID 21360560
methyl 4-[[6-chloro-2-(4-methoxycarbonylanilino)quinazolin-4-yl]amino]benzoate
CID 91359688
methyl 2-(4-chlorophenyl)-3H-benzimidazole-5-carboxylate
CID 3008656
dimethyl 5-(2,3-dimethylquinoxaline-6-carbonyl)oxybenzene-1,3-dicarboxylate
CID 9456451
methyl 2H-benzotriazole-5-carboxylate
CID 6409672

Frequently Asked Questions

What is the IUPAC name of methyl 7-chlorophenazine-2-carboxylate?
The IUPAC name of methyl 7-chlorophenazine-2-carboxylate (CID 154715967) is methyl 7-chlorophenazine-2-carboxylate.
What is the SMILES notation for methyl 7-chlorophenazine-2-carboxylate?
The canonical SMILES for methyl 7-chlorophenazine-2-carboxylate is COC(=O)c1ccc2nc3cc(Cl)ccc3nc2c1.
What is the InChIKey of methyl 7-chlorophenazine-2-carboxylate?
The InChIKey is OWBHUWJVRKXAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2/c1-19-14(18)8-2-4-10-12(6-8)16-11-5-3-9(15)7-13(11)17-10/h2-7H,1H3.
What are the key properties of methyl 7-chlorophenazine-2-carboxylate?
methyl 7-chlorophenazine-2-carboxylate has a molecular weight of 272.69 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-chlorophenazine-2-carboxylate is sourced from PubChem (CID 154715967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).