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

C28H26N4O2 — CID 10114847

IUPACN-[2-(dimethylamino)ethyl]-4-phenylmethoxybenzo[a]phenazine-11-carboxamide
SMILESCN(C)CCNC(=O)c1cccc2nc3ccc4c(OCc5ccccc5)cccc4c3nc12
InChIInChI=1S/C28H26N4O2/c1-32(2)17-16-29-28(33)22-11-6-12-23-27(22)31-26-21-10-7-13-25(20(21)14-15-24(26)30-23)34-18-19-8-4-3-5-9-19/h3-15H,16-18H2,1-2H3,(H,29,33)
InChIKeyQKCJOMCOKABQIO-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.81
Rot. Bonds7

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

N-[2-(dimethylamino)ethyl]-4-phenylmethoxybenzo[a]phenazine-11-carboxamide (PubChem CID 10114847) has the molecular formula C28H26N4O2 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-phenylmethoxybenzo[a]phenazine-11-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-phenylmethoxybenzo[a]phenazine-11-carboxamide
PubChem CID10114847
Molecular FormulaC28H26N4O2
Molecular Weight450.54 g/mol
Exact Mass450.21
IUPAC NameN-[2-(dimethylamino)ethyl]-4-phenylmethoxybenzo[a]phenazine-11-carboxamide
SMILESCN(C)CCNC(=O)c1cccc2nc3ccc4c(OCc5ccccc5)cccc4c3nc12
InChIInChI=1S/C28H26N4O2/c1-32(2)17-16-29-28(33)22-11-6-12-23-27(22)31-26-21-10-7-13-25(20(21)14-15-24(26)30-23)34-18-19-8-4-3-5-9-19/h3-15H,16-18H2,1-2H3,(H,29,33)
InChIKeyQKCJOMCOKABQIO-UHFFFAOYSA-N
XLogP4.81
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.81
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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Related Compounds

9-chloro-N-[2-(dimethylamino)ethyl]-4-methoxybenzo[a]phenazine-11-carboxamide
CID 10112144
N-[2-(dimethylamino)ethyl]-2-nitrobenzo[a]phenazine-11-carboxamide
CID 10134914
1-[2-(dimethylamino)ethylcarbamoyl]benzo[a]phenazine-4-carboxylic acid
CID 70113697
9-anilino-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide
CID 59765054
4-methoxy-N-(2-morpholin-4-ylethyl)benzo[a]phenazine-11-carboxamide
CID 10180151
9-amino-N-[2-(dimethylamino)ethyl]-5-fluoroacridine-4-carboxamide
CID 1818
3-chloro-N-[2-(dimethylamino)ethyl]phenazine-1-carboxamide
CID 11580719
9-chloro-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide
CID 10593362
N-[2-(dimethylamino)ethyl]-5-phenylacridine-4-carboxamide
CID 10690459
N-[2-(dimethylamino)ethyl]-[1]benzofuro[2,3-b]quinoline-7-carboxamide
CID 10640396
6-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]phenanthridine-4-carboxamide;hydrochloride
CID 45262948
N-[2-(dimethylamino)ethyl]-6,7-dimethylacridine-4-carboxamide
CID 54432311

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-phenylmethoxybenzo[a]phenazine-11-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-phenylmethoxybenzo[a]phenazine-11-carboxamide (CID 10114847) is N-[2-(dimethylamino)ethyl]-4-phenylmethoxybenzo[a]phenazine-11-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-phenylmethoxybenzo[a]phenazine-11-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-phenylmethoxybenzo[a]phenazine-11-carboxamide is CN(C)CCNC(=O)c1cccc2nc3ccc4c(OCc5ccccc5)cccc4c3nc12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-phenylmethoxybenzo[a]phenazine-11-carboxamide?
The InChIKey is QKCJOMCOKABQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O2/c1-32(2)17-16-29-28(33)22-11-6-12-23-27(22)31-26-21-10-7-13-25(20(21)14-15-24(26)30-23)34-18-19-8-4-3-5-9-19/h3-15H,16-18H2,1-2H3,(H,29,33).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-phenylmethoxybenzo[a]phenazine-11-carboxamide?
N-[2-(dimethylamino)ethyl]-4-phenylmethoxybenzo[a]phenazine-11-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-phenylmethoxybenzo[a]phenazine-11-carboxamide is sourced from PubChem (CID 10114847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).