N-(3-chloro-5-fluorophenyl)-2-hydrazinylquinazolin-4-amine

C14H11ClFN5 — CID 107371204

IUPACN-(3-chloro-5-fluorophenyl)-2-hydrazinylquinazolin-4-amine
SMILESNNc1nc(Nc2cc(F)cc(Cl)c2)c2ccccc2n1
InChIInChI=1S/C14H11ClFN5/c15-8-5-9(16)7-10(6-8)18-13-11-3-1-2-4-12(11)19-14(20-13)21-17/h1-7H,17H2,(H2,18,19,20,21)
InChIKeyWCOZGKGDPPCSAA-UHFFFAOYSA-N
MW303.73 g/mol
LogP3.45
Rot. Bonds3

About N-(3-chloro-5-fluorophenyl)-2-hydrazinylquinazolin-4-amine

N-(3-chloro-5-fluorophenyl)-2-hydrazinylquinazolin-4-amine (PubChem CID 107371204) has the molecular formula C14H11ClFN5 and a molecular weight of 303.73 g/mol. Its IUPAC name is N-(3-chloro-5-fluorophenyl)-2-hydrazinylquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-5-fluorophenyl)-2-hydrazinylquinazolin-4-amine
PubChem CID107371204
Molecular FormulaC14H11ClFN5
Molecular Weight303.73 g/mol
Exact Mass303.07
IUPAC NameN-(3-chloro-5-fluorophenyl)-2-hydrazinylquinazolin-4-amine
SMILESNNc1nc(Nc2cc(F)cc(Cl)c2)c2ccccc2n1
InChIInChI=1S/C14H11ClFN5/c15-8-5-9(16)7-10(6-8)18-13-11-3-1-2-4-12(11)19-14(20-13)21-17/h1-7H,17H2,(H2,18,19,20,21)
InChIKeyWCOZGKGDPPCSAA-UHFFFAOYSA-N
XLogP3.45
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.73
LogP ≤ 53.45
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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Related Compounds

N-(4-fluorophenyl)-2-hydrazinylquinazolin-4-amine
CID 80928190
2-N-(3,5-dichlorophenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690550
2-chloro-N-(3,5-difluorophenyl)quinazolin-4-amine
CID 62477687
N-(3-chloro-2-fluorophenyl)-2-hydrazinylquinazolin-4-amine
CID 80912686
2-N-(3-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine
CID 46850879
N-(3-chloro-5-fluorophenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 107371200
2-chloro-N-(3,5-dichloro-4-fluorophenyl)quinazolin-4-amine
CID 107576871
N-(2,6-dibromophenyl)-2-hydrazinylquinazolin-4-amine
CID 107604857
N-(4-bromo-3-methylphenyl)-2-hydrazinylquinazolin-4-amine
CID 80911781
2-N-(4-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67720832
4-N-(2,6-dichloro-4-fluorophenyl)quinazoline-2,4-diamine
CID 83073018
4-N-(3,5-dichlorophenyl)-2-N-(3-piperidin-1-ylpropyl)quinazoline-2,4-diamine
CID 12703339

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-fluorophenyl)-2-hydrazinylquinazolin-4-amine?
The IUPAC name of N-(3-chloro-5-fluorophenyl)-2-hydrazinylquinazolin-4-amine (CID 107371204) is N-(3-chloro-5-fluorophenyl)-2-hydrazinylquinazolin-4-amine.
What is the SMILES notation for N-(3-chloro-5-fluorophenyl)-2-hydrazinylquinazolin-4-amine?
The canonical SMILES for N-(3-chloro-5-fluorophenyl)-2-hydrazinylquinazolin-4-amine is NNc1nc(Nc2cc(F)cc(Cl)c2)c2ccccc2n1.
What is the InChIKey of N-(3-chloro-5-fluorophenyl)-2-hydrazinylquinazolin-4-amine?
The InChIKey is WCOZGKGDPPCSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN5/c15-8-5-9(16)7-10(6-8)18-13-11-3-1-2-4-12(11)19-14(20-13)21-17/h1-7H,17H2,(H2,18,19,20,21).
What are the key properties of N-(3-chloro-5-fluorophenyl)-2-hydrazinylquinazolin-4-amine?
N-(3-chloro-5-fluorophenyl)-2-hydrazinylquinazolin-4-amine has a molecular weight of 303.73 g/mol, XLogP of 3.45, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-fluorophenyl)-2-hydrazinylquinazolin-4-amine is sourced from PubChem (CID 107371204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).