9-(diethylamino)-5-oxobenzo[a]phenoxazine-10-carbohydrazide

C21H20N4O3 — CID 170900319

IUPAC9-(diethylamino)-5-oxobenzo[a]phenoxazine-10-carbohydrazide
SMILESCCN(CC)c1cc2oc3cc(=O)c4ccccc4c-3nc2cc1C(=O)NN
InChIInChI=1S/C21H20N4O3/c1-3-25(4-2)16-10-18-15(9-14(16)21(27)24-22)23-20-13-8-6-5-7-12(13)17(26)11-19(20)28-18/h5-11H,3-4,22H2,1-2H3,(H,24,27)
InChIKeyPFEQYHDHHSOSBK-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.90
Rot. Bonds4

About 9-(diethylamino)-5-oxobenzo[a]phenoxazine-10-carbohydrazide

9-(diethylamino)-5-oxobenzo[a]phenoxazine-10-carbohydrazide (PubChem CID 170900319) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 9-(diethylamino)-5-oxobenzo[a]phenoxazine-10-carbohydrazide.

Molecular Properties

Compound Name9-(diethylamino)-5-oxobenzo[a]phenoxazine-10-carbohydrazide
PubChem CID170900319
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name9-(diethylamino)-5-oxobenzo[a]phenoxazine-10-carbohydrazide
SMILESCCN(CC)c1cc2oc3cc(=O)c4ccccc4c-3nc2cc1C(=O)NN
InChIInChI=1S/C21H20N4O3/c1-3-25(4-2)16-10-18-15(9-14(16)21(27)24-22)23-20-13-8-6-5-7-12(13)17(26)11-19(20)28-18/h5-11H,3-4,22H2,1-2H3,(H,24,27)
InChIKeyPFEQYHDHHSOSBK-UHFFFAOYSA-N
XLogP2.90
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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

N-[9-(diethylamino)-5-oxobenzo[a]phenoxazin-1-yl]acetamide
CID 20688806
4-[2-[9-(diethylamino)-5-oxobenzo[a]phenoxazin-2-yl]ethynyl]benzene-1,2-dicarboxamide
CID 101460651
9-[bis(2-ethylhexyl)amino]benzo[a]phenoxazin-5-one
CID 155293659
4-[2-[9-(diethylamino)-5-oxobenzo[a]phenoxazin-2-yl]ethynyl]phthalic acid
CID 102469977
2-[2-(3-aminophenyl)ethynyl]-9-(diethylamino)benzo[a]phenoxazin-5-one
CID 153356345
3-[9-(diethylamino)-5-oxobenzo[a]phenoxazin-2-yl]prop-2-ynenitrile;ethane
CID 144768606
6-[9-(diethylamino)-5-oxobenzo[a]phenoxazin-2-yl]oxyhexanoic acid
CID 10527463
4-[9-(diethylamino)-5-oxobenzo[a]phenoxazin-3-yl]benzonitrile
CID 153356351
9-(diethylamino)-5-oxo-N-phenylbenzo[a]phenoxazine-6-carboxamide
CID 18730904
5-(2-chlorophenyl)imino-N,N-diethylbenzo[a]phenoxazin-9-amine
CID 56661665
methyl 3-[(3-methoxy-3-oxopropyl)-[5-oxo-2-(trifluoromethylsulfonyloxy)benzo[a]phenoxazin-9-yl]amino]propanoate
CID 162537361
N,N-diethyl-5-pyridin-2-yliminobenzo[a]phenoxazin-9-amine
CID 66870971

Frequently Asked Questions

What is the IUPAC name of 9-(diethylamino)-5-oxobenzo[a]phenoxazine-10-carbohydrazide?
The IUPAC name of 9-(diethylamino)-5-oxobenzo[a]phenoxazine-10-carbohydrazide (CID 170900319) is 9-(diethylamino)-5-oxobenzo[a]phenoxazine-10-carbohydrazide.
What is the SMILES notation for 9-(diethylamino)-5-oxobenzo[a]phenoxazine-10-carbohydrazide?
The canonical SMILES for 9-(diethylamino)-5-oxobenzo[a]phenoxazine-10-carbohydrazide is CCN(CC)c1cc2oc3cc(=O)c4ccccc4c-3nc2cc1C(=O)NN.
What is the InChIKey of 9-(diethylamino)-5-oxobenzo[a]phenoxazine-10-carbohydrazide?
The InChIKey is PFEQYHDHHSOSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-3-25(4-2)16-10-18-15(9-14(16)21(27)24-22)23-20-13-8-6-5-7-12(13)17(26)11-19(20)28-18/h5-11H,3-4,22H2,1-2H3,(H,24,27).
What are the key properties of 9-(diethylamino)-5-oxobenzo[a]phenoxazine-10-carbohydrazide?
9-(diethylamino)-5-oxobenzo[a]phenoxazine-10-carbohydrazide has a molecular weight of 376.42 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(diethylamino)-5-oxobenzo[a]phenoxazine-10-carbohydrazide is sourced from PubChem (CID 170900319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).