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

C21H19N5O3 — CID 10134914

IUPACN-[2-(dimethylamino)ethyl]-2-nitrobenzo[a]phenazine-11-carboxamide
SMILESCN(C)CCNC(=O)c1cccc2nc3ccc4ccc([N+](=O)[O-])cc4c3nc12
InChIInChI=1S/C21H19N5O3/c1-25(2)11-10-22-21(27)15-4-3-5-17-19(15)24-20-16-12-14(26(28)29)8-6-13(16)7-9-18(20)23-17/h3-9,12H,10-11H2,1-2H3,(H,22,27)
InChIKeyGKZIGVCFZKBRFI-UHFFFAOYSA-N
MW389.42 g/mol
LogP3.14
Rot. Bonds5

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

N-[2-(dimethylamino)ethyl]-2-nitrobenzo[a]phenazine-11-carboxamide (PubChem CID 10134914) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-nitrobenzo[a]phenazine-11-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-nitrobenzo[a]phenazine-11-carboxamide
PubChem CID10134914
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC NameN-[2-(dimethylamino)ethyl]-2-nitrobenzo[a]phenazine-11-carboxamide
SMILESCN(C)CCNC(=O)c1cccc2nc3ccc4ccc([N+](=O)[O-])cc4c3nc12
InChIInChI=1S/C21H19N5O3/c1-25(2)11-10-22-21(27)15-4-3-5-17-19(15)24-20-16-12-14(26(28)29)8-6-13(16)7-9-18(20)23-17/h3-9,12H,10-11H2,1-2H3,(H,22,27)
InChIKeyGKZIGVCFZKBRFI-UHFFFAOYSA-N
XLogP3.14
TPSA101.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6666_A(2)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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

3-nitrobenzo[a]phenazine-11-carboxylic acid
CID 10925216
N-[2-(dimethylamino)ethyl]-4-phenylmethoxybenzo[a]phenazine-11-carboxamide
CID 10114847
N-[2-(dimethylamino)ethyl]-2-nitrobenzamide
CID 15287848
9-chloro-N-[2-(dimethylamino)ethyl]-4-methoxybenzo[a]phenazine-11-carboxamide
CID 10112144
9-amino-N-[2-(dimethylamino)ethyl]-5-fluoroacridine-4-carboxamide
CID 1818
3-chloro-N-[2-(dimethylamino)ethyl]phenazine-1-carboxamide
CID 11580719
N-[2-(dimethylamino)ethyl]-5-phenylacridine-4-carboxamide
CID 10690459
9-chloro-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide
CID 10593362
N-[2-(dimethylamino)ethyl]-2-(methylamino)-3-nitrobenzamide
CID 112580559
N-[2-(dimethylamino)ethyl]-6,7-dimethylacridine-4-carboxamide
CID 54432311
2-methyl-6-nitro-N-propylquinoline-4-carboxamide
CID 110489389
9-anilino-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide
CID 59765054

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-nitrobenzo[a]phenazine-11-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-nitrobenzo[a]phenazine-11-carboxamide (CID 10134914) is N-[2-(dimethylamino)ethyl]-2-nitrobenzo[a]phenazine-11-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-nitrobenzo[a]phenazine-11-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-nitrobenzo[a]phenazine-11-carboxamide is CN(C)CCNC(=O)c1cccc2nc3ccc4ccc([N+](=O)[O-])cc4c3nc12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-nitrobenzo[a]phenazine-11-carboxamide?
The InChIKey is GKZIGVCFZKBRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-25(2)11-10-22-21(27)15-4-3-5-17-19(15)24-20-16-12-14(26(28)29)8-6-13(16)7-9-18(20)23-17/h3-9,12H,10-11H2,1-2H3,(H,22,27).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-nitrobenzo[a]phenazine-11-carboxamide?
N-[2-(dimethylamino)ethyl]-2-nitrobenzo[a]phenazine-11-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-nitrobenzo[a]phenazine-11-carboxamide is sourced from PubChem (CID 10134914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).