methyl 6-[2-(dimethylamino)ethylcarbamoyl]-5-hydroxy-10-methoxybenzo[a]phenazine-9-carboxylate

C24H24N4O5 — CID 135430345

IUPACmethyl 6-[2-(dimethylamino)ethylcarbamoyl]-5-hydroxy-10-methoxybenzo[a]phenazine-9-carboxylate
SMILESCOC(=O)c1cc2nc3c(C(=O)NCCN(C)C)c(O)c4ccccc4c3nc2cc1OC
InChIInChI=1S/C24H24N4O5/c1-28(2)10-9-25-23(30)19-21-20(13-7-5-6-8-14(13)22(19)29)26-17-12-18(32-3)15(24(31)33-4)11-16(17)27-21/h5-8,11-12,29H,9-10H2,1-4H3,(H,25,30)
InChIKeyDGSXFRJEHFETBL-UHFFFAOYSA-N
MW448.48 g/mol
LogP2.73
Rot. Bonds6

About methyl 6-[2-(dimethylamino)ethylcarbamoyl]-5-hydroxy-10-methoxybenzo[a]phenazine-9-carboxylate

methyl 6-[2-(dimethylamino)ethylcarbamoyl]-5-hydroxy-10-methoxybenzo[a]phenazine-9-carboxylate (PubChem CID 135430345) has the molecular formula C24H24N4O5 and a molecular weight of 448.48 g/mol. Its IUPAC name is methyl 6-[2-(dimethylamino)ethylcarbamoyl]-5-hydroxy-10-methoxybenzo[a]phenazine-9-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-(dimethylamino)ethylcarbamoyl]-5-hydroxy-10-methoxybenzo[a]phenazine-9-carboxylate
PubChem CID135430345
Molecular FormulaC24H24N4O5
Molecular Weight448.48 g/mol
Exact Mass448.17
IUPAC Namemethyl 6-[2-(dimethylamino)ethylcarbamoyl]-5-hydroxy-10-methoxybenzo[a]phenazine-9-carboxylate
SMILESCOC(=O)c1cc2nc3c(C(=O)NCCN(C)C)c(O)c4ccccc4c3nc2cc1OC
InChIInChI=1S/C24H24N4O5/c1-28(2)10-9-25-23(30)19-21-20(13-7-5-6-8-14(13)22(19)29)26-17-12-18(32-3)15(24(31)33-4)11-16(17)27-21/h5-8,11-12,29H,9-10H2,1-4H3,(H,25,30)
InChIKeyDGSXFRJEHFETBL-UHFFFAOYSA-N
XLogP2.73
TPSA113.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-(dimethylamino)ethylcarbamoyl]-5-hydroxy-10-methoxybenzo[a]phenazine-9-carboxylate?
The IUPAC name of methyl 6-[2-(dimethylamino)ethylcarbamoyl]-5-hydroxy-10-methoxybenzo[a]phenazine-9-carboxylate (CID 135430345) is methyl 6-[2-(dimethylamino)ethylcarbamoyl]-5-hydroxy-10-methoxybenzo[a]phenazine-9-carboxylate.
What is the SMILES notation for methyl 6-[2-(dimethylamino)ethylcarbamoyl]-5-hydroxy-10-methoxybenzo[a]phenazine-9-carboxylate?
The canonical SMILES for methyl 6-[2-(dimethylamino)ethylcarbamoyl]-5-hydroxy-10-methoxybenzo[a]phenazine-9-carboxylate is COC(=O)c1cc2nc3c(C(=O)NCCN(C)C)c(O)c4ccccc4c3nc2cc1OC.
What is the InChIKey of methyl 6-[2-(dimethylamino)ethylcarbamoyl]-5-hydroxy-10-methoxybenzo[a]phenazine-9-carboxylate?
The InChIKey is DGSXFRJEHFETBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O5/c1-28(2)10-9-25-23(30)19-21-20(13-7-5-6-8-14(13)22(19)29)26-17-12-18(32-3)15(24(31)33-4)11-16(17)27-21/h5-8,11-12,29H,9-10H2,1-4H3,(H,25,30).
What are the key properties of methyl 6-[2-(dimethylamino)ethylcarbamoyl]-5-hydroxy-10-methoxybenzo[a]phenazine-9-carboxylate?
methyl 6-[2-(dimethylamino)ethylcarbamoyl]-5-hydroxy-10-methoxybenzo[a]phenazine-9-carboxylate has a molecular weight of 448.48 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-(dimethylamino)ethylcarbamoyl]-5-hydroxy-10-methoxybenzo[a]phenazine-9-carboxylate is sourced from PubChem (CID 135430345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).