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

C15H18N4O — CID 135415731

IUPAC5-ethyl-2-hydrazinyl-5-methyl-3,6-dihydrobenzo[h]quinazolin-4-one
SMILESCCC1(C)Cc2ccccc2-c2nc(NN)[nH]c(=O)c21
InChIInChI=1S/C15H18N4O/c1-3-15(2)8-9-6-4-5-7-10(9)12-11(15)13(20)18-14(17-12)19-16/h4-7H,3,8,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyUSWIFQGRULOVFX-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.95
Rot. Bonds2

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

5-ethyl-2-hydrazinyl-5-methyl-3,6-dihydrobenzo[h]quinazolin-4-one (PubChem CID 135415731) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 5-ethyl-2-hydrazinyl-5-methyl-3,6-dihydrobenzo[h]quinazolin-4-one.

Molecular Properties

Compound Name5-ethyl-2-hydrazinyl-5-methyl-3,6-dihydrobenzo[h]quinazolin-4-one
PubChem CID135415731
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name5-ethyl-2-hydrazinyl-5-methyl-3,6-dihydrobenzo[h]quinazolin-4-one
SMILESCCC1(C)Cc2ccccc2-c2nc(NN)[nH]c(=O)c21
InChIInChI=1S/C15H18N4O/c1-3-15(2)8-9-6-4-5-7-10(9)12-11(15)13(20)18-14(17-12)19-16/h4-7H,3,8,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyUSWIFQGRULOVFX-UHFFFAOYSA-N
XLogP1.95
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.95
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

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
3-amino-9-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one
CID 135838238
5,5-Diethyl-2-hydrazinyl-1,6-dihydrobenzo[h]quinazolin-4-one
CID 135496455
2-Hydrazinyl-5,5-dimethyl-1,6-dihydrobenzo[h]quinazolin-4-one
CID 135466692
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
5-Ethyl-5-methyl-2-methylsulfanyl-1,6-dihydrobenzo[h]quinazolin-4-one
CID 135527645
5-ethyl-5-methyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
CID 135530212

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-hydrazinyl-5-methyl-3,6-dihydrobenzo[h]quinazolin-4-one?
The IUPAC name of 5-ethyl-2-hydrazinyl-5-methyl-3,6-dihydrobenzo[h]quinazolin-4-one (CID 135415731) is 5-ethyl-2-hydrazinyl-5-methyl-3,6-dihydrobenzo[h]quinazolin-4-one.
What is the SMILES notation for 5-ethyl-2-hydrazinyl-5-methyl-3,6-dihydrobenzo[h]quinazolin-4-one?
The canonical SMILES for 5-ethyl-2-hydrazinyl-5-methyl-3,6-dihydrobenzo[h]quinazolin-4-one is CCC1(C)Cc2ccccc2-c2nc(NN)[nH]c(=O)c21.
What is the InChIKey of 5-ethyl-2-hydrazinyl-5-methyl-3,6-dihydrobenzo[h]quinazolin-4-one?
The InChIKey is USWIFQGRULOVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-3-15(2)8-9-6-4-5-7-10(9)12-11(15)13(20)18-14(17-12)19-16/h4-7H,3,8,16H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 5-ethyl-2-hydrazinyl-5-methyl-3,6-dihydrobenzo[h]quinazolin-4-one?
5-ethyl-2-hydrazinyl-5-methyl-3,6-dihydrobenzo[h]quinazolin-4-one has a molecular weight of 270.34 g/mol, XLogP of 1.95, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-hydrazinyl-5-methyl-3,6-dihydrobenzo[h]quinazolin-4-one is sourced from PubChem (CID 135415731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).