4-ethyl-N'-[3-(3-methyl-4-oxoquinazolin-2-yl)propanoyl]benzohydrazide

C21H22N4O3 — CID 9088102

IUPAC4-ethyl-N'-[3-(3-methyl-4-oxoquinazolin-2-yl)propanoyl]benzohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)CCc2nc3ccccc3c(=O)n2C)cc1
InChIInChI=1S/C21H22N4O3/c1-3-14-8-10-15(11-9-14)20(27)24-23-19(26)13-12-18-22-17-7-5-4-6-16(17)21(28)25(18)2/h4-11H,3,12-13H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyAUMIDLXMIZPLRS-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.89
Rot. Bonds5

About 4-ethyl-N'-[3-(3-methyl-4-oxoquinazolin-2-yl)propanoyl]benzohydrazide

4-ethyl-N'-[3-(3-methyl-4-oxoquinazolin-2-yl)propanoyl]benzohydrazide (PubChem CID 9088102) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 4-ethyl-N'-[3-(3-methyl-4-oxoquinazolin-2-yl)propanoyl]benzohydrazide.

Molecular Properties

Compound Name4-ethyl-N'-[3-(3-methyl-4-oxoquinazolin-2-yl)propanoyl]benzohydrazide
PubChem CID9088102
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name4-ethyl-N'-[3-(3-methyl-4-oxoquinazolin-2-yl)propanoyl]benzohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)CCc2nc3ccccc3c(=O)n2C)cc1
InChIInChI=1S/C21H22N4O3/c1-3-14-8-10-15(11-9-14)20(27)24-23-19(26)13-12-18-22-17-7-5-4-6-16(17)21(28)25(18)2/h4-11H,3,12-13H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyAUMIDLXMIZPLRS-UHFFFAOYSA-N
XLogP1.89
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethyl-N'-[3-(3-methyl-4-oxoquinazolin-2-yl)propanoyl]furan-3-carbohydrazide
CID 9084919
N-[2-(4-fluorophenyl)ethyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide
CID 9080818
[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 46627260
ethane;2-ethyl-3-methylquinazolin-4-one
CID 143999559
(2S)-2-(2,3-dimethylphenoxy)-N'-[3-(3-methyl-4-oxoquinazolin-2-yl)propanoyl]propanehydrazide
CID 9088849
2-(3-fluorophenyl)-N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]acetamide
CID 110712309
N-[2-(4-methoxyphenoxy)ethyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide
CID 8935859
N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]pyridine-4-carboxamide
CID 84513157
N'-[3-(4-ethylphenyl)propanoyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 9428189
3,3-dimethyl-N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]butanamide
CID 110712301
4-hydroxy-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide
CID 135767696
2-[1-(4-ethylphenyl)-1-oxopropan-2-yl]sulfanyl-3-methylquinazolin-4-one
CID 4275809

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N'-[3-(3-methyl-4-oxoquinazolin-2-yl)propanoyl]benzohydrazide?
The IUPAC name of 4-ethyl-N'-[3-(3-methyl-4-oxoquinazolin-2-yl)propanoyl]benzohydrazide (CID 9088102) is 4-ethyl-N'-[3-(3-methyl-4-oxoquinazolin-2-yl)propanoyl]benzohydrazide.
What is the SMILES notation for 4-ethyl-N'-[3-(3-methyl-4-oxoquinazolin-2-yl)propanoyl]benzohydrazide?
The canonical SMILES for 4-ethyl-N'-[3-(3-methyl-4-oxoquinazolin-2-yl)propanoyl]benzohydrazide is CCc1ccc(C(=O)NNC(=O)CCc2nc3ccccc3c(=O)n2C)cc1.
What is the InChIKey of 4-ethyl-N'-[3-(3-methyl-4-oxoquinazolin-2-yl)propanoyl]benzohydrazide?
The InChIKey is AUMIDLXMIZPLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-3-14-8-10-15(11-9-14)20(27)24-23-19(26)13-12-18-22-17-7-5-4-6-16(17)21(28)25(18)2/h4-11H,3,12-13H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 4-ethyl-N'-[3-(3-methyl-4-oxoquinazolin-2-yl)propanoyl]benzohydrazide?
4-ethyl-N'-[3-(3-methyl-4-oxoquinazolin-2-yl)propanoyl]benzohydrazide has a molecular weight of 378.43 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N'-[3-(3-methyl-4-oxoquinazolin-2-yl)propanoyl]benzohydrazide is sourced from PubChem (CID 9088102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).