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

C24H26N4O2 — CID 10111730

IUPACN-[1-(dimethylamino)butan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide
SMILESCCC(CN(C)C)NC(=O)c1cccc2nc3ccc4c(OC)cccc4c3nc12
InChIInChI=1S/C24H26N4O2/c1-5-15(14-28(2)3)25-24(29)18-9-6-10-19-23(18)27-22-17-8-7-11-21(30-4)16(17)12-13-20(22)26-19/h6-13,15H,5,14H2,1-4H3,(H,25,29)
InChIKeyGRLXOPDTDIBGHB-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.01
Rot. Bonds6

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

N-[1-(dimethylamino)butan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide (PubChem CID 10111730) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[1-(dimethylamino)butan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)butan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide
PubChem CID10111730
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC NameN-[1-(dimethylamino)butan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide
SMILESCCC(CN(C)C)NC(=O)c1cccc2nc3ccc4c(OC)cccc4c3nc12
InChIInChI=1S/C24H26N4O2/c1-5-15(14-28(2)3)25-24(29)18-9-6-10-19-23(18)27-22-17-8-7-11-21(30-4)16(17)12-13-20(22)26-19/h6-13,15H,5,14H2,1-4H3,(H,25,29)
InChIKeyGRLXOPDTDIBGHB-UHFFFAOYSA-N
XLogP4.01
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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)butan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide?
The IUPAC name of N-[1-(dimethylamino)butan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide (CID 10111730) is N-[1-(dimethylamino)butan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide.
What is the SMILES notation for N-[1-(dimethylamino)butan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide?
The canonical SMILES for N-[1-(dimethylamino)butan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide is CCC(CN(C)C)NC(=O)c1cccc2nc3ccc4c(OC)cccc4c3nc12.
What is the InChIKey of N-[1-(dimethylamino)butan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide?
The InChIKey is GRLXOPDTDIBGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-5-15(14-28(2)3)25-24(29)18-9-6-10-19-23(18)27-22-17-8-7-11-21(30-4)16(17)12-13-20(22)26-19/h6-13,15H,5,14H2,1-4H3,(H,25,29).
What are the key properties of N-[1-(dimethylamino)butan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide?
N-[1-(dimethylamino)butan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)butan-2-yl]-4-methoxybenzo[a]phenazine-11-carboxamide is sourced from PubChem (CID 10111730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).