N-[2-(dimethylamino)ethyl]-4,9-dimethoxybenzo[a]phenazine-11-carboxamide

C23H24N4O3 — CID 10294648

IUPACN-[2-(dimethylamino)ethyl]-4,9-dimethoxybenzo[a]phenazine-11-carboxamide
SMILESCOc1cc(C(=O)NCCN(C)C)c2nc3c(ccc4c(OC)cccc43)nc2c1
InChIInChI=1S/C23H24N4O3/c1-27(2)11-10-24-23(28)17-12-14(29-3)13-19-22(17)26-21-16-6-5-7-20(30-4)15(16)8-9-18(21)25-19/h5-9,12-13H,10-11H2,1-4H3,(H,24,28)
InChIKeyVLDFQSIVMCOEKV-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.24
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-4,9-dimethoxybenzo[a]phenazine-11-carboxamide

N-[2-(dimethylamino)ethyl]-4,9-dimethoxybenzo[a]phenazine-11-carboxamide (PubChem CID 10294648) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4,9-dimethoxybenzo[a]phenazine-11-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4,9-dimethoxybenzo[a]phenazine-11-carboxamide
PubChem CID10294648
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-[2-(dimethylamino)ethyl]-4,9-dimethoxybenzo[a]phenazine-11-carboxamide
SMILESCOc1cc(C(=O)NCCN(C)C)c2nc3c(ccc4c(OC)cccc43)nc2c1
InChIInChI=1S/C23H24N4O3/c1-27(2)11-10-24-23(28)17-12-14(29-3)13-19-22(17)26-21-16-6-5-7-20(30-4)15(16)8-9-18(21)25-19/h5-9,12-13H,10-11H2,1-4H3,(H,24,28)
InChIKeyVLDFQSIVMCOEKV-UHFFFAOYSA-N
XLogP3.24
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.24
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4,9-dimethoxybenzo[a]phenazine-11-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4,9-dimethoxybenzo[a]phenazine-11-carboxamide (CID 10294648) is N-[2-(dimethylamino)ethyl]-4,9-dimethoxybenzo[a]phenazine-11-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4,9-dimethoxybenzo[a]phenazine-11-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4,9-dimethoxybenzo[a]phenazine-11-carboxamide is COc1cc(C(=O)NCCN(C)C)c2nc3c(ccc4c(OC)cccc43)nc2c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4,9-dimethoxybenzo[a]phenazine-11-carboxamide?
The InChIKey is VLDFQSIVMCOEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-27(2)11-10-24-23(28)17-12-14(29-3)13-19-22(17)26-21-16-6-5-7-20(30-4)15(16)8-9-18(21)25-19/h5-9,12-13H,10-11H2,1-4H3,(H,24,28).
What are the key properties of N-[2-(dimethylamino)ethyl]-4,9-dimethoxybenzo[a]phenazine-11-carboxamide?
N-[2-(dimethylamino)ethyl]-4,9-dimethoxybenzo[a]phenazine-11-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4,9-dimethoxybenzo[a]phenazine-11-carboxamide is sourced from PubChem (CID 10294648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).