N-(4-chlorophenyl)-2-(6-fluoro-2-pyridinyl)quinazolin-4-amine

C19H12ClFN4 — CID 23652966

IUPACN-(4-chlorophenyl)-2-(6-fluoro-2-pyridinyl)quinazolin-4-amine
SMILESFc1cccc(-c2nc(Nc3ccc(Cl)cc3)c3ccccc3n2)n1
InChIInChI=1S/C19H12ClFN4/c20-12-8-10-13(11-9-12)22-18-14-4-1-2-5-15(14)24-19(25-18)16-6-3-7-17(21)23-16/h1-11H,(H,22,24,25)
InChIKeyBRTAGQDKNYLLAG-UHFFFAOYSA-N
MW350.78 g/mol
LogP5.23
Rot. Bonds3

About N-(4-chlorophenyl)-2-(6-fluoro-2-pyridinyl)quinazolin-4-amine

N-(4-chlorophenyl)-2-(6-fluoro-2-pyridinyl)quinazolin-4-amine (PubChem CID 23652966) has the molecular formula C19H12ClFN4 and a molecular weight of 350.78 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(6-fluoro-2-pyridinyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(6-fluoro-2-pyridinyl)quinazolin-4-amine
PubChem CID23652966
Molecular FormulaC19H12ClFN4
Molecular Weight350.78 g/mol
Exact Mass350.07
IUPAC NameN-(4-chlorophenyl)-2-(6-fluoro-2-pyridinyl)quinazolin-4-amine
SMILESFc1cccc(-c2nc(Nc3ccc(Cl)cc3)c3ccccc3n2)n1
InChIInChI=1S/C19H12ClFN4/c20-12-8-10-13(11-9-12)22-18-14-4-1-2-5-15(14)24-19(25-18)16-6-3-7-17(21)23-16/h1-11H,(H,22,24,25)
InChIKeyBRTAGQDKNYLLAG-UHFFFAOYSA-N
XLogP5.23
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.78
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(6-fluoro-2-pyridinyl)quinazolin-4-amine?
The IUPAC name of N-(4-chlorophenyl)-2-(6-fluoro-2-pyridinyl)quinazolin-4-amine (CID 23652966) is N-(4-chlorophenyl)-2-(6-fluoro-2-pyridinyl)quinazolin-4-amine.
What is the SMILES notation for N-(4-chlorophenyl)-2-(6-fluoro-2-pyridinyl)quinazolin-4-amine?
The canonical SMILES for N-(4-chlorophenyl)-2-(6-fluoro-2-pyridinyl)quinazolin-4-amine is Fc1cccc(-c2nc(Nc3ccc(Cl)cc3)c3ccccc3n2)n1.
What is the InChIKey of N-(4-chlorophenyl)-2-(6-fluoro-2-pyridinyl)quinazolin-4-amine?
The InChIKey is BRTAGQDKNYLLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN4/c20-12-8-10-13(11-9-12)22-18-14-4-1-2-5-15(14)24-19(25-18)16-6-3-7-17(21)23-16/h1-11H,(H,22,24,25).
What are the key properties of N-(4-chlorophenyl)-2-(6-fluoro-2-pyridinyl)quinazolin-4-amine?
N-(4-chlorophenyl)-2-(6-fluoro-2-pyridinyl)quinazolin-4-amine has a molecular weight of 350.78 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(6-fluoro-2-pyridinyl)quinazolin-4-amine is sourced from PubChem (CID 23652966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).