5-(6-bromo-4-oxoquinazolin-3-yl)pentanehydrazide

C13H15BrN4O2 — CID 63578850

IUPAC5-(6-bromo-4-oxoquinazolin-3-yl)pentanehydrazide
SMILESNNC(=O)CCCCn1cnc2ccc(Br)cc2c1=O
InChIInChI=1S/C13H15BrN4O2/c14-9-4-5-11-10(7-9)13(20)18(8-16-11)6-2-1-3-12(19)17-15/h4-5,7-8H,1-3,6,15H2,(H,17,19)
InChIKeyZNIZPWDFIKADIM-UHFFFAOYSA-N
MW339.19 g/mol
LogP1.32
Rot. Bonds5

About 5-(6-bromo-4-oxoquinazolin-3-yl)pentanehydrazide

5-(6-bromo-4-oxoquinazolin-3-yl)pentanehydrazide (PubChem CID 63578850) has the molecular formula C13H15BrN4O2 and a molecular weight of 339.19 g/mol. Its IUPAC name is 5-(6-bromo-4-oxoquinazolin-3-yl)pentanehydrazide.

Molecular Properties

Compound Name5-(6-bromo-4-oxoquinazolin-3-yl)pentanehydrazide
PubChem CID63578850
Molecular FormulaC13H15BrN4O2
Molecular Weight339.19 g/mol
Exact Mass338.04
IUPAC Name5-(6-bromo-4-oxoquinazolin-3-yl)pentanehydrazide
SMILESNNC(=O)CCCCn1cnc2ccc(Br)cc2c1=O
InChIInChI=1S/C13H15BrN4O2/c14-9-4-5-11-10(7-9)13(20)18(8-16-11)6-2-1-3-12(19)17-15/h4-5,7-8H,1-3,6,15H2,(H,17,19)
InChIKeyZNIZPWDFIKADIM-UHFFFAOYSA-N
XLogP1.32
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide
CID 120506243
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 51330900
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-iodophenyl)propanamide
CID 30286634
N-[3-(aminomethyl)pentan-3-yl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide
CID 119571304
6-bromo-3-[2-(methylamino)ethyl]quinazolin-4-one
CID 62563754
6-bromo-3-[2-(propylamino)ethyl]quinazolin-4-one
CID 62563599
N-(2-amino-1-cyclopropylethyl)-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide
CID 119616697
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenylphenyl)propanamide
CID 46580979
methyl 2-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoylamino]-2-methylpropanoate
CID 43074401
3-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 24622378
5-(4-oxothieno[2,3-d]pyrimidin-3-yl)pentanehydrazide
CID 63578956
ethyl 4-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoyl]piperazine-1-carboxylate
CID 36861207

Frequently Asked Questions

What is the IUPAC name of 5-(6-bromo-4-oxoquinazolin-3-yl)pentanehydrazide?
The IUPAC name of 5-(6-bromo-4-oxoquinazolin-3-yl)pentanehydrazide (CID 63578850) is 5-(6-bromo-4-oxoquinazolin-3-yl)pentanehydrazide.
What is the SMILES notation for 5-(6-bromo-4-oxoquinazolin-3-yl)pentanehydrazide?
The canonical SMILES for 5-(6-bromo-4-oxoquinazolin-3-yl)pentanehydrazide is NNC(=O)CCCCn1cnc2ccc(Br)cc2c1=O.
What is the InChIKey of 5-(6-bromo-4-oxoquinazolin-3-yl)pentanehydrazide?
The InChIKey is ZNIZPWDFIKADIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O2/c14-9-4-5-11-10(7-9)13(20)18(8-16-11)6-2-1-3-12(19)17-15/h4-5,7-8H,1-3,6,15H2,(H,17,19).
What are the key properties of 5-(6-bromo-4-oxoquinazolin-3-yl)pentanehydrazide?
5-(6-bromo-4-oxoquinazolin-3-yl)pentanehydrazide has a molecular weight of 339.19 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-bromo-4-oxoquinazolin-3-yl)pentanehydrazide is sourced from PubChem (CID 63578850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).