methyl 10-amino-4-methoxybenzo[a]phenazine-11-carboxylate

C19H15N3O3 — CID 11823800

IUPACmethyl 10-amino-4-methoxybenzo[a]phenazine-11-carboxylate
SMILESCOC(=O)c1c(N)ccc2nc3ccc4c(OC)cccc4c3nc12
InChIInChI=1S/C19H15N3O3/c1-24-15-5-3-4-11-10(15)6-8-13-17(11)22-18-14(21-13)9-7-12(20)16(18)19(23)25-2/h3-9H,20H2,1-2H3
InChIKeyVHYKSKYYVAYLKU-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.31
Rot. Bonds2

About methyl 10-amino-4-methoxybenzo[a]phenazine-11-carboxylate

methyl 10-amino-4-methoxybenzo[a]phenazine-11-carboxylate (PubChem CID 11823800) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is methyl 10-amino-4-methoxybenzo[a]phenazine-11-carboxylate.

Molecular Properties

Compound Namemethyl 10-amino-4-methoxybenzo[a]phenazine-11-carboxylate
PubChem CID11823800
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Namemethyl 10-amino-4-methoxybenzo[a]phenazine-11-carboxylate
SMILESCOC(=O)c1c(N)ccc2nc3ccc4c(OC)cccc4c3nc12
InChIInChI=1S/C19H15N3O3/c1-24-15-5-3-4-11-10(15)6-8-13-17(11)22-18-14(21-13)9-7-12(20)16(18)19(23)25-2/h3-9H,20H2,1-2H3
InChIKeyVHYKSKYYVAYLKU-UHFFFAOYSA-N
XLogP3.31
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6666_A(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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 4-methoxy-10-(methylamino)benzo[a]phenazine-11-carboxylate
CID 11121568
4-methoxycarbonylbenzo[a]phenazine-11-carboxylic acid
CID 11782518
4-methoxy-N-(2-morpholin-4-ylethyl)benzo[a]phenazine-11-carboxamide
CID 10180151
9-chloro-N-[2-(dimethylamino)ethyl]-4-methoxybenzo[a]phenazine-11-carboxamide
CID 10112144
methyl acridine-9-carboxylate
CID 21211
methyl 6-amino-3-methoxy-2-(6-methylpyridazin-3-yl)oxybenzoate
CID 82940255
methyl 1-amino-3-(4-methoxynaphthalen-1-yl)naphthalene-2-carboxylate
CID 102334359
methyl 2-amino-5-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 53271259
methyl 2-formyl-6-methoxybenzoate
CID 12730360
methyl 7-amino-4-methoxy-8-methylquinoline-2-carboxylate
CID 134859415
dimethyl 3-aminobenzene-1,2-dicarboxylate
CID 13399384
methyl 2-iodo-6-methoxybenzoate
CID 91882308

Frequently Asked Questions

What is the IUPAC name of methyl 10-amino-4-methoxybenzo[a]phenazine-11-carboxylate?
The IUPAC name of methyl 10-amino-4-methoxybenzo[a]phenazine-11-carboxylate (CID 11823800) is methyl 10-amino-4-methoxybenzo[a]phenazine-11-carboxylate.
What is the SMILES notation for methyl 10-amino-4-methoxybenzo[a]phenazine-11-carboxylate?
The canonical SMILES for methyl 10-amino-4-methoxybenzo[a]phenazine-11-carboxylate is COC(=O)c1c(N)ccc2nc3ccc4c(OC)cccc4c3nc12.
What is the InChIKey of methyl 10-amino-4-methoxybenzo[a]phenazine-11-carboxylate?
The InChIKey is VHYKSKYYVAYLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c1-24-15-5-3-4-11-10(15)6-8-13-17(11)22-18-14(21-13)9-7-12(20)16(18)19(23)25-2/h3-9H,20H2,1-2H3.
What are the key properties of methyl 10-amino-4-methoxybenzo[a]phenazine-11-carboxylate?
methyl 10-amino-4-methoxybenzo[a]phenazine-11-carboxylate has a molecular weight of 333.35 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10-amino-4-methoxybenzo[a]phenazine-11-carboxylate is sourced from PubChem (CID 11823800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).