(5R)-5-ethyl-2-hydrazinyl-5-methyl-3-(2-phenylethyl)-6H-benzo[h]quinazolin-4-one

C23H26N4O — CID 7509543

IUPAC(5R)-5-ethyl-2-hydrazinyl-5-methyl-3-(2-phenylethyl)-6H-benzo[h]quinazolin-4-one
SMILESCC[C@]1(C)Cc2ccccc2-c2nc(NN)n(CCc3ccccc3)c(=O)c21
InChIInChI=1S/C23H26N4O/c1-3-23(2)15-17-11-7-8-12-18(17)20-19(23)21(28)27(22(25-20)26-24)14-13-16-9-5-4-6-10-16/h4-12H,3,13-15,24H2,1-2H3,(H,25,26)/t23-/m1/s1
InChIKeyXFCUFKXBYCLIKL-HSZRJFAPSA-N
MW374.49 g/mol
LogP3.66
Rot. Bonds5

About (5R)-5-ethyl-2-hydrazinyl-5-methyl-3-(2-phenylethyl)-6H-benzo[h]quinazolin-4-one

(5R)-5-ethyl-2-hydrazinyl-5-methyl-3-(2-phenylethyl)-6H-benzo[h]quinazolin-4-one (PubChem CID 7509543) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is (5R)-5-ethyl-2-hydrazinyl-5-methyl-3-(2-phenylethyl)-6H-benzo[h]quinazolin-4-one.

Molecular Properties

Compound Name(5R)-5-ethyl-2-hydrazinyl-5-methyl-3-(2-phenylethyl)-6H-benzo[h]quinazolin-4-one
PubChem CID7509543
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name(5R)-5-ethyl-2-hydrazinyl-5-methyl-3-(2-phenylethyl)-6H-benzo[h]quinazolin-4-one
SMILESCC[C@]1(C)Cc2ccccc2-c2nc(NN)n(CCc3ccccc3)c(=O)c21
InChIInChI=1S/C23H26N4O/c1-3-23(2)15-17-11-7-8-12-18(17)20-19(23)21(28)27(22(25-20)26-24)14-13-16-9-5-4-6-10-16/h4-12H,3,13-15,24H2,1-2H3,(H,25,26)/t23-/m1/s1
InChIKeyXFCUFKXBYCLIKL-HSZRJFAPSA-N
XLogP3.66
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-ethyl-2-hydrazinyl-5-methyl-3-(2-phenylethyl)-6H-benzo[h]quinazolin-4-one?
The IUPAC name of (5R)-5-ethyl-2-hydrazinyl-5-methyl-3-(2-phenylethyl)-6H-benzo[h]quinazolin-4-one (CID 7509543) is (5R)-5-ethyl-2-hydrazinyl-5-methyl-3-(2-phenylethyl)-6H-benzo[h]quinazolin-4-one.
What is the SMILES notation for (5R)-5-ethyl-2-hydrazinyl-5-methyl-3-(2-phenylethyl)-6H-benzo[h]quinazolin-4-one?
The canonical SMILES for (5R)-5-ethyl-2-hydrazinyl-5-methyl-3-(2-phenylethyl)-6H-benzo[h]quinazolin-4-one is CC[C@]1(C)Cc2ccccc2-c2nc(NN)n(CCc3ccccc3)c(=O)c21.
What is the InChIKey of (5R)-5-ethyl-2-hydrazinyl-5-methyl-3-(2-phenylethyl)-6H-benzo[h]quinazolin-4-one?
The InChIKey is XFCUFKXBYCLIKL-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H26N4O/c1-3-23(2)15-17-11-7-8-12-18(17)20-19(23)21(28)27(22(25-20)26-24)14-13-16-9-5-4-6-10-16/h4-12H,3,13-15,24H2,1-2H3,(H,25,26)/t23-/m1/s1.
What are the key properties of (5R)-5-ethyl-2-hydrazinyl-5-methyl-3-(2-phenylethyl)-6H-benzo[h]quinazolin-4-one?
(5R)-5-ethyl-2-hydrazinyl-5-methyl-3-(2-phenylethyl)-6H-benzo[h]quinazolin-4-one has a molecular weight of 374.49 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethyl-2-hydrazinyl-5-methyl-3-(2-phenylethyl)-6H-benzo[h]quinazolin-4-one is sourced from PubChem (CID 7509543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).