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

C14H14BrClN4 — CID 114077274

IUPAC[2-(4-bromo-3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
SMILESNNc1nc(-c2ccc(Br)c(Cl)c2)nc2c1CCCC2
InChIInChI=1S/C14H14BrClN4/c15-10-6-5-8(7-11(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)
InChIKeyCYDLHNLWDBMOJE-UHFFFAOYSA-N
MW353.65 g/mol
LogP3.72
Rot. Bonds2

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

[2-(4-bromo-3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine (PubChem CID 114077274) has the molecular formula C14H14BrClN4 and a molecular weight of 353.65 g/mol. Its IUPAC name is [2-(4-bromo-3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(4-bromo-3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
PubChem CID114077274
Molecular FormulaC14H14BrClN4
Molecular Weight353.65 g/mol
Exact Mass352.01
IUPAC Name[2-(4-bromo-3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
SMILESNNc1nc(-c2ccc(Br)c(Cl)c2)nc2c1CCCC2
InChIInChI=1S/C14H14BrClN4/c15-10-6-5-8(7-11(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)
InChIKeyCYDLHNLWDBMOJE-UHFFFAOYSA-N
XLogP3.72
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.65
LogP ≤ 53.72
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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Related Compounds

[2-(3-bromo-4-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
CID 115568369
[2-(3-bromo-4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
CID 82801875
[2-(3-chloro-4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 63088195
[2-(4-fluoro-3-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine
CID 63481875
[2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 62251407
[2-(3-bromofuran-2-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
CID 106889323
[2-(6-methoxy-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
CID 114938453
2-(4-bromo-3-methylphenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 66479077
2-(3-bromo-4-chlorophenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 115568197
[2-(2-bromo-4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 107281498
2-(3-chloro-4-fluorophenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 63485428
4-chloro-2-(3,4-dichlorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63405249

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine?
The IUPAC name of [2-(4-bromo-3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine (CID 114077274) is [2-(4-bromo-3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine.
What is the SMILES notation for [2-(4-bromo-3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine?
The canonical SMILES for [2-(4-bromo-3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine is NNc1nc(-c2ccc(Br)c(Cl)c2)nc2c1CCCC2.
What is the InChIKey of [2-(4-bromo-3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine?
The InChIKey is CYDLHNLWDBMOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN4/c15-10-6-5-8(7-11(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-(4-bromo-3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine?
[2-(4-bromo-3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine has a molecular weight of 353.65 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine is sourced from PubChem (CID 114077274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).