methyl 4-methoxy-10-(methylamino)benzo[a]phenazine-11-carboxylate

C20H17N3O3 — CID 11121568

IUPACmethyl 4-methoxy-10-(methylamino)benzo[a]phenazine-11-carboxylate
SMILESCNc1ccc2nc3ccc4c(OC)cccc4c3nc2c1C(=O)OC
InChIInChI=1S/C20H17N3O3/c1-21-13-9-10-15-19(17(13)20(24)26-3)23-18-12-5-4-6-16(25-2)11(12)7-8-14(18)22-15/h4-10,21H,1-3H3
InChIKeyVAQDJWVOXUZXGI-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.77
Rot. Bonds3

About methyl 4-methoxy-10-(methylamino)benzo[a]phenazine-11-carboxylate

methyl 4-methoxy-10-(methylamino)benzo[a]phenazine-11-carboxylate (PubChem CID 11121568) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is methyl 4-methoxy-10-(methylamino)benzo[a]phenazine-11-carboxylate.

Molecular Properties

Compound Namemethyl 4-methoxy-10-(methylamino)benzo[a]phenazine-11-carboxylate
PubChem CID11121568
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Namemethyl 4-methoxy-10-(methylamino)benzo[a]phenazine-11-carboxylate
SMILESCNc1ccc2nc3ccc4c(OC)cccc4c3nc2c1C(=O)OC
InChIInChI=1S/C20H17N3O3/c1-21-13-9-10-15-19(17(13)20(24)26-3)23-18-12-5-4-6-16(25-2)11(12)7-8-14(18)22-15/h4-10,21H,1-3H3
InChIKeyVAQDJWVOXUZXGI-UHFFFAOYSA-N
XLogP3.77
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6666_A(2)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

methyl 10-amino-4-methoxybenzo[a]phenazine-11-carboxylate
CID 11823800
4-methoxy-N-(2-morpholin-4-ylethyl)benzo[a]phenazine-11-carboxamide
CID 10180151
4-methoxycarbonylbenzo[a]phenazine-11-carboxylic acid
CID 11782518
9-chloro-N-[2-(dimethylamino)ethyl]-4-methoxybenzo[a]phenazine-11-carboxamide
CID 10112144
methyl acridine-9-carboxylate
CID 21211
8-methoxy-4-(methylamino)quinoline-2-carboxylic acid
CID 84626797
methyl 2-formyl-6-methoxybenzoate
CID 12730360
1-[2-methoxy-6-(methylamino)phenyl]ethenethiol
CID 142076504
dimethyl 2-[hydroxy-[2-methoxy-6-(methylamino)phenyl]methylidene]propanedioate
CID 78358315
4-methoxy-1-N,8-N-dimethylnaphthalene-1,8-diamine
CID 123748583
methyl 2-iodo-6-methoxybenzoate
CID 91882308
dimethyl 3,4-dimethoxybenzene-1,2-dicarboxylate
CID 16637829

Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-10-(methylamino)benzo[a]phenazine-11-carboxylate?
The IUPAC name of methyl 4-methoxy-10-(methylamino)benzo[a]phenazine-11-carboxylate (CID 11121568) is methyl 4-methoxy-10-(methylamino)benzo[a]phenazine-11-carboxylate.
What is the SMILES notation for methyl 4-methoxy-10-(methylamino)benzo[a]phenazine-11-carboxylate?
The canonical SMILES for methyl 4-methoxy-10-(methylamino)benzo[a]phenazine-11-carboxylate is CNc1ccc2nc3ccc4c(OC)cccc4c3nc2c1C(=O)OC.
What is the InChIKey of methyl 4-methoxy-10-(methylamino)benzo[a]phenazine-11-carboxylate?
The InChIKey is VAQDJWVOXUZXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-21-13-9-10-15-19(17(13)20(24)26-3)23-18-12-5-4-6-16(25-2)11(12)7-8-14(18)22-15/h4-10,21H,1-3H3.
What are the key properties of methyl 4-methoxy-10-(methylamino)benzo[a]phenazine-11-carboxylate?
methyl 4-methoxy-10-(methylamino)benzo[a]phenazine-11-carboxylate has a molecular weight of 347.37 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-10-(methylamino)benzo[a]phenazine-11-carboxylate is sourced from PubChem (CID 11121568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).