N-[9-(dimethylamino)-7-ethyl-5-oxobenzo[a]phenazin-1-yl]acetamide

C22H22N4O2 — CID 18730896

IUPACN-[9-(dimethylamino)-7-ethyl-5-oxobenzo[a]phenazin-1-yl]acetamide
SMILESCCn1c2cc(=O)c3cccc(NC(C)=O)c3c-2nc2ccc(N(C)C)cc21
InChIInChI=1S/C22H22N4O2/c1-5-26-18-11-14(25(3)4)9-10-16(18)24-22-19(26)12-20(28)15-7-6-8-17(21(15)22)23-13(2)27/h6-12H,5H2,1-4H3,(H,23,27)
InChIKeySPZRVDPBLVJPKA-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.70
Rot. Bonds3

About N-[9-(dimethylamino)-7-ethyl-5-oxobenzo[a]phenazin-1-yl]acetamide

N-[9-(dimethylamino)-7-ethyl-5-oxobenzo[a]phenazin-1-yl]acetamide (PubChem CID 18730896) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[9-(dimethylamino)-7-ethyl-5-oxobenzo[a]phenazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[9-(dimethylamino)-7-ethyl-5-oxobenzo[a]phenazin-1-yl]acetamide
PubChem CID18730896
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-[9-(dimethylamino)-7-ethyl-5-oxobenzo[a]phenazin-1-yl]acetamide
SMILESCCn1c2cc(=O)c3cccc(NC(C)=O)c3c-2nc2ccc(N(C)C)cc21
InChIInChI=1S/C22H22N4O2/c1-5-26-18-11-14(25(3)4)9-10-16(18)24-22-19(26)12-20(28)15-7-6-8-17(21(15)22)23-13(2)27/h6-12H,5H2,1-4H3,(H,23,27)
InChIKeySPZRVDPBLVJPKA-UHFFFAOYSA-N
XLogP3.70
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-[9-(diethylamino)-5-oxobenzo[a]phenoxazin-1-yl]acetamide
CID 20688806
2-(1,3-benzoxazol-2-yl)-6-(dimethylamino)-1-ethylquinolin-4-one
CID 141105594
5-N,5-N,14-N,14-N,23-N,23-N-hexamethyl-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene-5,14,23-triamine
CID 159216096
N-[4-(dimethylamino)-2-trimethylsilylphenyl]acetamide
CID 616671
N-[[4-(dimethylamino)phenyl]methyl]-2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)acetamide
CID 53001110
3-methyl-7-(3-methylbut-2-enyl)benzo[a]phenazin-5-one
CID 57333430
N-[2-acetyl-4-(dimethylamino)phenyl]acetamide
CID 15087824
N-[2-chloro-5-(dimethylamino)phenyl]acetamide
CID 130011997
N-[4-(dimethylamino)phenyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 45030780
2-acetamido-N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-methylbenzamide
CID 134537531
3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-1-ethylquinoxalin-2-one
CID 18730858
N-[2-(6-methyl-3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide
CID 3163691

Frequently Asked Questions

What is the IUPAC name of N-[9-(dimethylamino)-7-ethyl-5-oxobenzo[a]phenazin-1-yl]acetamide?
The IUPAC name of N-[9-(dimethylamino)-7-ethyl-5-oxobenzo[a]phenazin-1-yl]acetamide (CID 18730896) is N-[9-(dimethylamino)-7-ethyl-5-oxobenzo[a]phenazin-1-yl]acetamide.
What is the SMILES notation for N-[9-(dimethylamino)-7-ethyl-5-oxobenzo[a]phenazin-1-yl]acetamide?
The canonical SMILES for N-[9-(dimethylamino)-7-ethyl-5-oxobenzo[a]phenazin-1-yl]acetamide is CCn1c2cc(=O)c3cccc(NC(C)=O)c3c-2nc2ccc(N(C)C)cc21.
What is the InChIKey of N-[9-(dimethylamino)-7-ethyl-5-oxobenzo[a]phenazin-1-yl]acetamide?
The InChIKey is SPZRVDPBLVJPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-5-26-18-11-14(25(3)4)9-10-16(18)24-22-19(26)12-20(28)15-7-6-8-17(21(15)22)23-13(2)27/h6-12H,5H2,1-4H3,(H,23,27).
What are the key properties of N-[9-(dimethylamino)-7-ethyl-5-oxobenzo[a]phenazin-1-yl]acetamide?
N-[9-(dimethylamino)-7-ethyl-5-oxobenzo[a]phenazin-1-yl]acetamide has a molecular weight of 374.44 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-(dimethylamino)-7-ethyl-5-oxobenzo[a]phenazin-1-yl]acetamide is sourced from PubChem (CID 18730896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).