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

C14H11ClFN5 — CID 80912686

IUPACN-(3-chloro-2-fluorophenyl)-2-hydrazinylquinazolin-4-amine
SMILESNNc1nc(Nc2cccc(Cl)c2F)c2ccccc2n1
InChIInChI=1S/C14H11ClFN5/c15-9-5-3-7-11(12(9)16)18-13-8-4-1-2-6-10(8)19-14(20-13)21-17/h1-7H,17H2,(H2,18,19,20,21)
InChIKeySTMDVGNWKFOUIE-UHFFFAOYSA-N
MW303.73 g/mol
LogP3.45
Rot. Bonds3

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

N-(3-chloro-2-fluorophenyl)-2-hydrazinylquinazolin-4-amine (PubChem CID 80912686) has the molecular formula C14H11ClFN5 and a molecular weight of 303.73 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-2-hydrazinylquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-2-hydrazinylquinazolin-4-amine
PubChem CID80912686
Molecular FormulaC14H11ClFN5
Molecular Weight303.73 g/mol
Exact Mass303.07
IUPAC NameN-(3-chloro-2-fluorophenyl)-2-hydrazinylquinazolin-4-amine
SMILESNNc1nc(Nc2cccc(Cl)c2F)c2ccccc2n1
InChIInChI=1S/C14H11ClFN5/c15-9-5-3-7-11(12(9)16)18-13-8-4-1-2-6-10(8)19-14(20-13)21-17/h1-7H,17H2,(H2,18,19,20,21)
InChIKeySTMDVGNWKFOUIE-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

5-bromo-N-(3-chloro-2-fluorophenyl)-2-hydrazinylpyrimidin-4-amine
CID 80921178
N-(4-fluorophenyl)-2-hydrazinylquinazolin-4-amine
CID 80928190
N-(3-chloro-5-fluorophenyl)-2-hydrazinylquinazolin-4-amine
CID 107371204
4-N-(2,3-dichlorophenyl)quinazoline-2,4-diamine
CID 80755119
N-(2,6-dibromophenyl)-2-hydrazinylquinazolin-4-amine
CID 107604857
4-N-(5-chloro-2-fluorophenyl)-2-N-methylquinazoline-2,4-diamine
CID 80773567
5-chloro-2-hydrazinyl-N-naphthalen-1-ylpyrimidin-4-amine
CID 80930813
2-N-(3-chloro-2-methylphenyl)-4-N-(4-methylphenyl)quinazoline-2,4-diamine
CID 71690632
6-N-(3-chloro-2-fluorophenyl)-3,5-difluoropyridine-2,6-diamine
CID 114073969
2-chloro-N-(3,5-dichloro-4-fluorophenyl)quinazolin-4-amine
CID 107576871
5-chloro-4-N-(3-chloro-2-fluorophenyl)pyrimidine-2,4-diamine
CID 80755029
N-[(3-chlorophenyl)methyl]-2-hydrazinylquinazolin-4-amine
CID 80903388

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-2-hydrazinylquinazolin-4-amine?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-2-hydrazinylquinazolin-4-amine (CID 80912686) is N-(3-chloro-2-fluorophenyl)-2-hydrazinylquinazolin-4-amine.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-2-hydrazinylquinazolin-4-amine?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-2-hydrazinylquinazolin-4-amine is NNc1nc(Nc2cccc(Cl)c2F)c2ccccc2n1.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-2-hydrazinylquinazolin-4-amine?
The InChIKey is STMDVGNWKFOUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN5/c15-9-5-3-7-11(12(9)16)18-13-8-4-1-2-6-10(8)19-14(20-13)21-17/h1-7H,17H2,(H2,18,19,20,21).
What are the key properties of N-(3-chloro-2-fluorophenyl)-2-hydrazinylquinazolin-4-amine?
N-(3-chloro-2-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-2-fluorophenyl)-2-hydrazinylquinazolin-4-amine is sourced from PubChem (CID 80912686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).