[2-(3-bromo-4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine

C14H14BrFN4 — CID 82801875

IUPAC[2-(3-bromo-4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
SMILESNNc1nc(-c2ccc(F)c(Br)c2)nc2c1CCCC2
InChIInChI=1S/C14H14BrFN4/c15-10-7-8(5-6-11(10)16)13-18-12-4-2-1-3-9(12)14(19-13)20-17/h5-7H,1-4,17H2,(H,18,19,20)
InChIKeyWFEGALYOHARKDN-UHFFFAOYSA-N
MW337.20 g/mol
LogP3.21
Rot. Bonds2

About [2-(3-bromo-4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine

[2-(3-bromo-4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine (PubChem CID 82801875) has the molecular formula C14H14BrFN4 and a molecular weight of 337.20 g/mol. Its IUPAC name is [2-(3-bromo-4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(3-bromo-4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
PubChem CID82801875
Molecular FormulaC14H14BrFN4
Molecular Weight337.20 g/mol
Exact Mass336.04
IUPAC Name[2-(3-bromo-4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
SMILESNNc1nc(-c2ccc(F)c(Br)c2)nc2c1CCCC2
InChIInChI=1S/C14H14BrFN4/c15-10-7-8(5-6-11(10)16)13-18-12-4-2-1-3-9(12)14(19-13)20-17/h5-7H,1-4,17H2,(H,18,19,20)
InChIKeyWFEGALYOHARKDN-UHFFFAOYSA-N
XLogP3.21
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.20
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(3-bromo-4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine?
The IUPAC name of [2-(3-bromo-4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine (CID 82801875) is [2-(3-bromo-4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine.
What is the SMILES notation for [2-(3-bromo-4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine?
The canonical SMILES for [2-(3-bromo-4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine is NNc1nc(-c2ccc(F)c(Br)c2)nc2c1CCCC2.
What is the InChIKey of [2-(3-bromo-4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine?
The InChIKey is WFEGALYOHARKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN4/c15-10-7-8(5-6-11(10)16)13-18-12-4-2-1-3-9(12)14(19-13)20-17/h5-7H,1-4,17H2,(H,18,19,20).
What are the key properties of [2-(3-bromo-4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine?
[2-(3-bromo-4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine has a molecular weight of 337.20 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromo-4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine is sourced from PubChem (CID 82801875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).