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

C24H26N4O2 — CID 10111729

IUPACN-[1-(dimethylamino)-2-methylpropan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide
SMILESCOc1cccc2c1ccc1nc3cccc(C(=O)NC(C)(C)CN(C)C)c3nc12
InChIInChI=1S/C24H26N4O2/c1-24(2,14-28(3)4)27-23(29)17-9-6-10-18-22(17)26-21-16-8-7-11-20(30-5)15(16)12-13-19(21)25-18/h6-13H,14H2,1-5H3,(H,27,29)
InChIKeyNZLQUHDPEIUCFE-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.01
Rot. Bonds5

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

N-[1-(dimethylamino)-2-methylpropan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide (PubChem CID 10111729) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[1-(dimethylamino)-2-methylpropan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-2-methylpropan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide
PubChem CID10111729
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC NameN-[1-(dimethylamino)-2-methylpropan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide
SMILESCOc1cccc2c1ccc1nc3cccc(C(=O)NC(C)(C)CN(C)C)c3nc12
InChIInChI=1S/C24H26N4O2/c1-24(2,14-28(3)4)27-23(29)17-9-6-10-18-22(17)26-21-16-8-7-11-20(30-5)15(16)12-13-19(21)25-18/h6-13H,14H2,1-5H3,(H,27,29)
InChIKeyNZLQUHDPEIUCFE-UHFFFAOYSA-N
XLogP4.01
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.01
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)-2-methylpropan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide?
The IUPAC name of N-[1-(dimethylamino)-2-methylpropan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide (CID 10111729) is N-[1-(dimethylamino)-2-methylpropan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide.
What is the SMILES notation for N-[1-(dimethylamino)-2-methylpropan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide?
The canonical SMILES for N-[1-(dimethylamino)-2-methylpropan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide is COc1cccc2c1ccc1nc3cccc(C(=O)NC(C)(C)CN(C)C)c3nc12.
What is the InChIKey of N-[1-(dimethylamino)-2-methylpropan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide?
The InChIKey is NZLQUHDPEIUCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-24(2,14-28(3)4)27-23(29)17-9-6-10-18-22(17)26-21-16-8-7-11-20(30-5)15(16)12-13-19(21)25-18/h6-13H,14H2,1-5H3,(H,27,29).
What are the key properties of N-[1-(dimethylamino)-2-methylpropan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide?
N-[1-(dimethylamino)-2-methylpropan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-2-methylpropan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide is sourced from PubChem (CID 10111729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).