N'-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]pyridine-3-carbohydrazide

C16H12BrN5O3 — CID 55704344

IUPACN'-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]pyridine-3-carbohydrazide
SMILESO=C(Cn1cnc2ccc(Br)cc2c1=O)NNC(=O)c1cccnc1
InChIInChI=1S/C16H12BrN5O3/c17-11-3-4-13-12(6-11)16(25)22(9-19-13)8-14(23)20-21-15(24)10-2-1-5-18-7-10/h1-7,9H,8H2,(H,20,23)(H,21,24)
InChIKeyHCWZZECDYOFBCZ-UHFFFAOYSA-N
MW402.21 g/mol
LogP1.02
Rot. Bonds3

About N'-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]pyridine-3-carbohydrazide

N'-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]pyridine-3-carbohydrazide (PubChem CID 55704344) has the molecular formula C16H12BrN5O3 and a molecular weight of 402.21 g/mol. Its IUPAC name is N'-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]pyridine-3-carbohydrazide
PubChem CID55704344
Molecular FormulaC16H12BrN5O3
Molecular Weight402.21 g/mol
Exact Mass401.01
IUPAC NameN'-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]pyridine-3-carbohydrazide
SMILESO=C(Cn1cnc2ccc(Br)cc2c1=O)NNC(=O)c1cccnc1
InChIInChI=1S/C16H12BrN5O3/c17-11-3-4-13-12(6-11)16(25)22(9-19-13)8-14(23)20-21-15(24)10-2-1-5-18-7-10/h1-7,9H,8H2,(H,20,23)(H,21,24)
InChIKeyHCWZZECDYOFBCZ-UHFFFAOYSA-N
XLogP1.02
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.21
LogP ≤ 51.02
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

N-benzyl-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 7886509
2-(6-bromo-4-oxoquinazolin-3-yl)-N-tert-butylacetamide
CID 7886608
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyethyl)acetamide
CID 7886604
2-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopropylacetamide
CID 7886546
3-[[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]methyl]-N-ethylbenzamide
CID 55724372
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2S)-butan-2-yl]acetamide
CID 7488299
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 7886622
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,4,6-trichlorophenyl)acetamide
CID 55379284
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7886626
N-[(2S)-1-aminopropan-2-yl]-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 120507203
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 55718262
3-(dimethylamino)-N'-[2-(4-oxoquinazolin-3-yl)acetyl]benzohydrazide
CID 27605752

Frequently Asked Questions

What is the IUPAC name of N'-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]pyridine-3-carbohydrazide?
The IUPAC name of N'-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]pyridine-3-carbohydrazide (CID 55704344) is N'-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]pyridine-3-carbohydrazide is O=C(Cn1cnc2ccc(Br)cc2c1=O)NNC(=O)c1cccnc1.
What is the InChIKey of N'-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]pyridine-3-carbohydrazide?
The InChIKey is HCWZZECDYOFBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN5O3/c17-11-3-4-13-12(6-11)16(25)22(9-19-13)8-14(23)20-21-15(24)10-2-1-5-18-7-10/h1-7,9H,8H2,(H,20,23)(H,21,24).
What are the key properties of N'-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]pyridine-3-carbohydrazide?
N'-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]pyridine-3-carbohydrazide has a molecular weight of 402.21 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 55704344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).