N-[(3-chlorophenyl)methyl]-2-hydrazinylquinazolin-4-amine

C15H14ClN5 — CID 80903388

IUPACN-[(3-chlorophenyl)methyl]-2-hydrazinylquinazolin-4-amine
SMILESNNc1nc(NCc2cccc(Cl)c2)c2ccccc2n1
InChIInChI=1S/C15H14ClN5/c16-11-5-3-4-10(8-11)9-18-14-12-6-1-2-7-13(12)19-15(20-14)21-17/h1-8H,9,17H2,(H2,18,19,20,21)
InChIKeyYAQLCTRPYCOLPH-UHFFFAOYSA-N
MW299.77 g/mol
LogP3.18
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-2-hydrazinylquinazolin-4-amine

N-[(3-chlorophenyl)methyl]-2-hydrazinylquinazolin-4-amine (PubChem CID 80903388) has the molecular formula C15H14ClN5 and a molecular weight of 299.77 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-hydrazinylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-hydrazinylquinazolin-4-amine
PubChem CID80903388
Molecular FormulaC15H14ClN5
Molecular Weight299.77 g/mol
Exact Mass299.09
IUPAC NameN-[(3-chlorophenyl)methyl]-2-hydrazinylquinazolin-4-amine
SMILESNNc1nc(NCc2cccc(Cl)c2)c2ccccc2n1
InChIInChI=1S/C15H14ClN5/c16-11-5-3-4-10(8-11)9-18-14-12-6-1-2-7-13(12)19-15(20-14)21-17/h1-8H,9,17H2,(H2,18,19,20,21)
InChIKeyYAQLCTRPYCOLPH-UHFFFAOYSA-N
XLogP3.18
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 N-[(3-chlorophenyl)methyl]-2-hydrazinylquinazolin-4-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-hydrazinylquinazolin-4-amine (CID 80903388) is N-[(3-chlorophenyl)methyl]-2-hydrazinylquinazolin-4-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-hydrazinylquinazolin-4-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-hydrazinylquinazolin-4-amine is NNc1nc(NCc2cccc(Cl)c2)c2ccccc2n1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-hydrazinylquinazolin-4-amine?
The InChIKey is YAQLCTRPYCOLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5/c16-11-5-3-4-10(8-11)9-18-14-12-6-1-2-7-13(12)19-15(20-14)21-17/h1-8H,9,17H2,(H2,18,19,20,21).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-hydrazinylquinazolin-4-amine?
N-[(3-chlorophenyl)methyl]-2-hydrazinylquinazolin-4-amine has a molecular weight of 299.77 g/mol, XLogP of 3.18, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-hydrazinylquinazolin-4-amine is sourced from PubChem (CID 80903388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).