3-(dimethylamino)-N'-[2-(4-oxoquinazolin-3-yl)acetyl]benzohydrazide

C19H19N5O3 — CID 27605752

IUPAC3-(dimethylamino)-N'-[2-(4-oxoquinazolin-3-yl)acetyl]benzohydrazide
SMILESCN(C)c1cccc(C(=O)NNC(=O)Cn2cnc3ccccc3c2=O)c1
InChIInChI=1S/C19H19N5O3/c1-23(2)14-7-5-6-13(10-14)18(26)22-21-17(25)11-24-12-20-16-9-4-3-8-15(16)19(24)27/h3-10,12H,11H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyUATVWUJXDKSDMA-UHFFFAOYSA-N
MW365.39 g/mol
LogP0.92
Rot. Bonds4

About 3-(dimethylamino)-N'-[2-(4-oxoquinazolin-3-yl)acetyl]benzohydrazide

3-(dimethylamino)-N'-[2-(4-oxoquinazolin-3-yl)acetyl]benzohydrazide (PubChem CID 27605752) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 3-(dimethylamino)-N'-[2-(4-oxoquinazolin-3-yl)acetyl]benzohydrazide.

Molecular Properties

Compound Name3-(dimethylamino)-N'-[2-(4-oxoquinazolin-3-yl)acetyl]benzohydrazide
PubChem CID27605752
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name3-(dimethylamino)-N'-[2-(4-oxoquinazolin-3-yl)acetyl]benzohydrazide
SMILESCN(C)c1cccc(C(=O)NNC(=O)Cn2cnc3ccccc3c2=O)c1
InChIInChI=1S/C19H19N5O3/c1-23(2)14-7-5-6-13(10-14)18(26)22-21-17(25)11-24-12-20-16-9-4-3-8-15(16)19(24)27/h3-10,12H,11H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyUATVWUJXDKSDMA-UHFFFAOYSA-N
XLogP0.92
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N'-[2-(4-oxoquinazolin-3-yl)acetyl]propanehydrazide
CID 24542922
2-fluoro-N'-[2-(4-oxoquinazolin-3-yl)acetyl]benzohydrazide
CID 4827693
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-(4-oxoquinazolin-3-yl)acetohydrazide
CID 7969443
N'-[2-(4-oxoquinazolin-3-yl)acetyl]cyclopropanecarbohydrazide
CID 26799065
N,N-diethyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]benzamide
CID 27892984
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 121137899
N-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 7874878
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2904511
N'-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]pyridine-3-carbohydrazide
CID 55704344
N'-[2-(4-oxoquinazolin-3-yl)acetyl]-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 24540532
N'-[2-(4-fluorophenoxy)acetyl]-2-(4-oxoquinazolin-3-yl)acetohydrazide
CID 7910774
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 122322312

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N'-[2-(4-oxoquinazolin-3-yl)acetyl]benzohydrazide?
The IUPAC name of 3-(dimethylamino)-N'-[2-(4-oxoquinazolin-3-yl)acetyl]benzohydrazide (CID 27605752) is 3-(dimethylamino)-N'-[2-(4-oxoquinazolin-3-yl)acetyl]benzohydrazide.
What is the SMILES notation for 3-(dimethylamino)-N'-[2-(4-oxoquinazolin-3-yl)acetyl]benzohydrazide?
The canonical SMILES for 3-(dimethylamino)-N'-[2-(4-oxoquinazolin-3-yl)acetyl]benzohydrazide is CN(C)c1cccc(C(=O)NNC(=O)Cn2cnc3ccccc3c2=O)c1.
What is the InChIKey of 3-(dimethylamino)-N'-[2-(4-oxoquinazolin-3-yl)acetyl]benzohydrazide?
The InChIKey is UATVWUJXDKSDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-23(2)14-7-5-6-13(10-14)18(26)22-21-17(25)11-24-12-20-16-9-4-3-8-15(16)19(24)27/h3-10,12H,11H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of 3-(dimethylamino)-N'-[2-(4-oxoquinazolin-3-yl)acetyl]benzohydrazide?
3-(dimethylamino)-N'-[2-(4-oxoquinazolin-3-yl)acetyl]benzohydrazide has a molecular weight of 365.39 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N'-[2-(4-oxoquinazolin-3-yl)acetyl]benzohydrazide is sourced from PubChem (CID 27605752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).