N-[2-(dimethylamino)ethyl]-4-(2-methoxyethoxy)benzo[a]phenazine-11-carboxamide

C24H26N4O3 — CID 10136807

IUPACN-[2-(dimethylamino)ethyl]-4-(2-methoxyethoxy)benzo[a]phenazine-11-carboxamide
SMILESCOCCOc1cccc2c1ccc1nc3cccc(C(=O)NCCN(C)C)c3nc12
InChIInChI=1S/C24H26N4O3/c1-28(2)13-12-25-24(29)18-7-4-8-19-23(18)27-22-17-6-5-9-21(31-15-14-30-3)16(17)10-11-20(22)26-19/h4-11H,12-15H2,1-3H3,(H,25,29)
InChIKeyFUVXLAQECVGMPR-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.25
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-4-(2-methoxyethoxy)benzo[a]phenazine-11-carboxamide

N-[2-(dimethylamino)ethyl]-4-(2-methoxyethoxy)benzo[a]phenazine-11-carboxamide (PubChem CID 10136807) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-(2-methoxyethoxy)benzo[a]phenazine-11-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-(2-methoxyethoxy)benzo[a]phenazine-11-carboxamide
PubChem CID10136807
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC NameN-[2-(dimethylamino)ethyl]-4-(2-methoxyethoxy)benzo[a]phenazine-11-carboxamide
SMILESCOCCOc1cccc2c1ccc1nc3cccc(C(=O)NCCN(C)C)c3nc12
InChIInChI=1S/C24H26N4O3/c1-28(2)13-12-25-24(29)18-7-4-8-19-23(18)27-22-17-6-5-9-21(31-15-14-30-3)16(17)10-11-20(22)26-19/h4-11H,12-15H2,1-3H3,(H,25,29)
InChIKeyFUVXLAQECVGMPR-UHFFFAOYSA-N
XLogP3.25
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6666_A(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-(2-methoxyethoxy)benzo[a]phenazine-11-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-(2-methoxyethoxy)benzo[a]phenazine-11-carboxamide (CID 10136807) is N-[2-(dimethylamino)ethyl]-4-(2-methoxyethoxy)benzo[a]phenazine-11-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-(2-methoxyethoxy)benzo[a]phenazine-11-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-(2-methoxyethoxy)benzo[a]phenazine-11-carboxamide is COCCOc1cccc2c1ccc1nc3cccc(C(=O)NCCN(C)C)c3nc12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-(2-methoxyethoxy)benzo[a]phenazine-11-carboxamide?
The InChIKey is FUVXLAQECVGMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-28(2)13-12-25-24(29)18-7-4-8-19-23(18)27-22-17-6-5-9-21(31-15-14-30-3)16(17)10-11-20(22)26-19/h4-11H,12-15H2,1-3H3,(H,25,29).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-(2-methoxyethoxy)benzo[a]phenazine-11-carboxamide?
N-[2-(dimethylamino)ethyl]-4-(2-methoxyethoxy)benzo[a]phenazine-11-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 3.25, 8 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-(2-methoxyethoxy)benzo[a]phenazine-11-carboxamide is sourced from PubChem (CID 10136807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).