N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide

C25H28N4O2 — CID 10112617

IUPACN-[1-(dimethylamino)-3-methylbutan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide
SMILESCOc1cccc2c1ccc1nc3cccc(C(=O)NC(CN(C)C)C(C)C)c3nc12
InChIInChI=1S/C25H28N4O2/c1-15(2)21(14-29(3)4)27-25(30)18-9-6-10-19-24(18)28-23-17-8-7-11-22(31-5)16(17)12-13-20(23)26-19/h6-13,15,21H,14H2,1-5H3,(H,27,30)
InChIKeyYBRXLVGXIZWTFX-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.26
Rot. Bonds6

About N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide

N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide (PubChem CID 10112617) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-3-methylbutan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide
PubChem CID10112617
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC NameN-[1-(dimethylamino)-3-methylbutan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide
SMILESCOc1cccc2c1ccc1nc3cccc(C(=O)NC(CN(C)C)C(C)C)c3nc12
InChIInChI=1S/C25H28N4O2/c1-15(2)21(14-29(3)4)27-25(30)18-9-6-10-19-24(18)28-23-17-8-7-11-22(31-5)16(17)12-13-20(23)26-19/h6-13,15,21H,14H2,1-5H3,(H,27,30)
InChIKeyYBRXLVGXIZWTFX-UHFFFAOYSA-N
XLogP4.26
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[1-(dimethylamino)-3-methylbutan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide?
The IUPAC name of N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide (CID 10112617) is N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide.
What is the SMILES notation for N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide?
The canonical SMILES for N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide is COc1cccc2c1ccc1nc3cccc(C(=O)NC(CN(C)C)C(C)C)c3nc12.
What is the InChIKey of N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide?
The InChIKey is YBRXLVGXIZWTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-15(2)21(14-29(3)4)27-25(30)18-9-6-10-19-24(18)28-23-17-8-7-11-22(31-5)16(17)12-13-20(23)26-19/h6-13,15,21H,14H2,1-5H3,(H,27,30).
What are the key properties of N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide?
N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide is sourced from PubChem (CID 10112617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).