N-[3-(dimethylamino)propyl]-4-methoxybenzo[a]phenazine-11-carboxamide

C23H24N4O2 — CID 10134873

IUPACN-[3-(dimethylamino)propyl]-4-methoxybenzo[a]phenazine-11-carboxamide
SMILESCOc1cccc2c1ccc1nc3cccc(C(=O)NCCCN(C)C)c3nc12
InChIInChI=1S/C23H24N4O2/c1-27(2)14-6-13-24-23(28)17-8-4-9-18-22(17)26-21-16-7-5-10-20(29-3)15(16)11-12-19(21)25-18/h4-5,7-12H,6,13-14H2,1-3H3,(H,24,28)
InChIKeyNKQGFHJQWKUPPI-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.63
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-4-methoxybenzo[a]phenazine-11-carboxamide

N-[3-(dimethylamino)propyl]-4-methoxybenzo[a]phenazine-11-carboxamide (PubChem CID 10134873) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4-methoxybenzo[a]phenazine-11-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-4-methoxybenzo[a]phenazine-11-carboxamide
PubChem CID10134873
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-[3-(dimethylamino)propyl]-4-methoxybenzo[a]phenazine-11-carboxamide
SMILESCOc1cccc2c1ccc1nc3cccc(C(=O)NCCCN(C)C)c3nc12
InChIInChI=1S/C23H24N4O2/c1-27(2)14-6-13-24-23(28)17-8-4-9-18-22(17)26-21-16-7-5-10-20(29-3)15(16)11-12-19(21)25-18/h4-5,7-12H,6,13-14H2,1-3H3,(H,24,28)
InChIKeyNKQGFHJQWKUPPI-UHFFFAOYSA-N
XLogP3.63
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[3-(dimethylamino)propyl]-4-methoxybenzo[a]phenazine-11-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-4-methoxybenzo[a]phenazine-11-carboxamide (CID 10134873) is N-[3-(dimethylamino)propyl]-4-methoxybenzo[a]phenazine-11-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-4-methoxybenzo[a]phenazine-11-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-4-methoxybenzo[a]phenazine-11-carboxamide is COc1cccc2c1ccc1nc3cccc(C(=O)NCCCN(C)C)c3nc12.
What is the InChIKey of N-[3-(dimethylamino)propyl]-4-methoxybenzo[a]phenazine-11-carboxamide?
The InChIKey is NKQGFHJQWKUPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-27(2)14-6-13-24-23(28)17-8-4-9-18-22(17)26-21-16-7-5-10-20(29-3)15(16)11-12-19(21)25-18/h4-5,7-12H,6,13-14H2,1-3H3,(H,24,28).
What are the key properties of N-[3-(dimethylamino)propyl]-4-methoxybenzo[a]phenazine-11-carboxamide?
N-[3-(dimethylamino)propyl]-4-methoxybenzo[a]phenazine-11-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-4-methoxybenzo[a]phenazine-11-carboxamide is sourced from PubChem (CID 10134873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).