3-bromo-N'-quinazolin-4-ylbenzohydrazide

C15H11BrN4O — CID 75445250

IUPAC3-bromo-N'-quinazolin-4-ylbenzohydrazide
SMILESO=C(NNc1ncnc2ccccc12)c1cccc(Br)c1
InChIInChI=1S/C15H11BrN4O/c16-11-5-3-4-10(8-11)15(21)20-19-14-12-6-1-2-7-13(12)17-9-18-14/h1-9H,(H,20,21)(H,17,18,19)
InChIKeyGKLUHJQWSJRFBO-UHFFFAOYSA-N
MW343.18 g/mol
LogP3.15
Rot. Bonds3

About 3-bromo-N'-quinazolin-4-ylbenzohydrazide

3-bromo-N'-quinazolin-4-ylbenzohydrazide (PubChem CID 75445250) has the molecular formula C15H11BrN4O and a molecular weight of 343.18 g/mol. Its IUPAC name is 3-bromo-N'-quinazolin-4-ylbenzohydrazide.

Molecular Properties

Compound Name3-bromo-N'-quinazolin-4-ylbenzohydrazide
PubChem CID75445250
Molecular FormulaC15H11BrN4O
Molecular Weight343.18 g/mol
Exact Mass342.01
IUPAC Name3-bromo-N'-quinazolin-4-ylbenzohydrazide
SMILESO=C(NNc1ncnc2ccccc12)c1cccc(Br)c1
InChIInChI=1S/C15H11BrN4O/c16-11-5-3-4-10(8-11)15(21)20-19-14-12-6-1-2-7-13(12)17-9-18-14/h1-9H,(H,20,21)(H,17,18,19)
InChIKeyGKLUHJQWSJRFBO-UHFFFAOYSA-N
XLogP3.15
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.18
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-bromophenyl)-N'-quinazolin-4-yl-1,2-oxazole-3-carbohydrazide
CID 136575695
3-(quinazolin-4-ylamino)-N-[2-[2-[[3-(quinazolin-4-ylamino)benzoyl]amino]ethyldisulfanyl]ethyl]benzamide
CID 139015878
5-(quinazolin-4-ylamino)benzene-1,3-dicarboxylic acid
CID 21002389
N'-[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19150628
3-(4-methoxyphenyl)-N'-quinazolin-4-yl-1H-pyrazole-5-carbohydrazide
CID 136575720
N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19148807
N-benzoyl-3-bromobenzamide
CID 118577200
N'-[6-[2-(4-bromobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]-3-chlorobenzohydrazide
CID 22535440
6-[(quinazolin-4-ylamino)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 4875508
2-(2-methoxyphenoxy)-N'-quinazolin-4-ylacetohydrazide
CID 21002383
2-(1,3-dioxoisoindol-2-yl)-N'-quinazolin-4-ylpropanehydrazide
CID 119040707
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(quinazolin-4-ylamino)benzamide
CID 154873076

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N'-quinazolin-4-ylbenzohydrazide?
The IUPAC name of 3-bromo-N'-quinazolin-4-ylbenzohydrazide (CID 75445250) is 3-bromo-N'-quinazolin-4-ylbenzohydrazide.
What is the SMILES notation for 3-bromo-N'-quinazolin-4-ylbenzohydrazide?
The canonical SMILES for 3-bromo-N'-quinazolin-4-ylbenzohydrazide is O=C(NNc1ncnc2ccccc12)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N'-quinazolin-4-ylbenzohydrazide?
The InChIKey is GKLUHJQWSJRFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN4O/c16-11-5-3-4-10(8-11)15(21)20-19-14-12-6-1-2-7-13(12)17-9-18-14/h1-9H,(H,20,21)(H,17,18,19).
What are the key properties of 3-bromo-N'-quinazolin-4-ylbenzohydrazide?
3-bromo-N'-quinazolin-4-ylbenzohydrazide has a molecular weight of 343.18 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N'-quinazolin-4-ylbenzohydrazide is sourced from PubChem (CID 75445250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).