5,5-diethyl-2-hydrazinyl-3,6-dihydrobenzo[h]quinazolin-4-one

C16H20N4O — CID 135496455

IUPAC5,5-diethyl-2-hydrazinyl-3,6-dihydrobenzo[h]quinazolin-4-one
SMILESCCC1(CC)Cc2ccccc2-c2nc(NN)[nH]c(=O)c21
InChIInChI=1S/C16H20N4O/c1-3-16(4-2)9-10-7-5-6-8-11(10)13-12(16)14(21)19-15(18-13)20-17/h5-8H,3-4,9,17H2,1-2H3,(H2,18,19,20,21)
InChIKeyJTKNPFVJLYNBFR-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.34
Rot. Bonds3

About 5,5-diethyl-2-hydrazinyl-3,6-dihydrobenzo[h]quinazolin-4-one

5,5-diethyl-2-hydrazinyl-3,6-dihydrobenzo[h]quinazolin-4-one (PubChem CID 135496455) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 5,5-diethyl-2-hydrazinyl-3,6-dihydrobenzo[h]quinazolin-4-one.

Molecular Properties

Compound Name5,5-diethyl-2-hydrazinyl-3,6-dihydrobenzo[h]quinazolin-4-one
PubChem CID135496455
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name5,5-diethyl-2-hydrazinyl-3,6-dihydrobenzo[h]quinazolin-4-one
SMILESCCC1(CC)Cc2ccccc2-c2nc(NN)[nH]c(=O)c21
InChIInChI=1S/C16H20N4O/c1-3-16(4-2)9-10-7-5-6-8-11(10)13-12(16)14(21)19-15(18-13)20-17/h5-8H,3-4,9,17H2,1-2H3,(H2,18,19,20,21)
InChIKeyJTKNPFVJLYNBFR-UHFFFAOYSA-N
XLogP2.34
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-2-hydrazinyl-5-methyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
CID 135415731
3-Amino-5,6-dihydrobenzo[f]quinazolin-1(2H)-one
CID 135838221
9-(methylsulfanyl)-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-7(11H)-one
CID 1388730
2-Hydrazinyl-5,5-dimethyl-1,6-dihydrobenzo[h]quinazolin-4-one
CID 135466692
N-(4-oxo-3-spiro[6H-benzo[h]quinazoline-5,1''-cyclopentane]yl)butanamide
CID 657671
N-(7-hydroxy-5-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide
CID 661836
9-(ethylthio)-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-7(12H)-one
CID 1384413
9-(ethylthio)-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-7(12H)-one
CID 1399699
N-allyl-2-(4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)hydrazinecarbothioamide
CID 135399028
N-allyl-2-(4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)hydrazinecarbothioamide
CID 135444524
2-amino-5-cyclopropyl-6-[(2-methylphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 155518928
2,5,5-Triethyl-5,6-dihydro-3H-benzo[h]quinazolin-4-one
CID 135516037

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-2-hydrazinyl-3,6-dihydrobenzo[h]quinazolin-4-one?
The IUPAC name of 5,5-diethyl-2-hydrazinyl-3,6-dihydrobenzo[h]quinazolin-4-one (CID 135496455) is 5,5-diethyl-2-hydrazinyl-3,6-dihydrobenzo[h]quinazolin-4-one.
What is the SMILES notation for 5,5-diethyl-2-hydrazinyl-3,6-dihydrobenzo[h]quinazolin-4-one?
The canonical SMILES for 5,5-diethyl-2-hydrazinyl-3,6-dihydrobenzo[h]quinazolin-4-one is CCC1(CC)Cc2ccccc2-c2nc(NN)[nH]c(=O)c21.
What is the InChIKey of 5,5-diethyl-2-hydrazinyl-3,6-dihydrobenzo[h]quinazolin-4-one?
The InChIKey is JTKNPFVJLYNBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-3-16(4-2)9-10-7-5-6-8-11(10)13-12(16)14(21)19-15(18-13)20-17/h5-8H,3-4,9,17H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 5,5-diethyl-2-hydrazinyl-3,6-dihydrobenzo[h]quinazolin-4-one?
5,5-diethyl-2-hydrazinyl-3,6-dihydrobenzo[h]quinazolin-4-one has a molecular weight of 284.36 g/mol, XLogP of 2.34, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-2-hydrazinyl-3,6-dihydrobenzo[h]quinazolin-4-one is sourced from PubChem (CID 135496455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).