N-[(4-fluorophenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine

C20H15FN4 — CID 2454706

IUPACN-[(4-fluorophenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
SMILESFc1ccc(CNc2nc(-c3cccnc3)nc3ccccc23)cc1
InChIInChI=1S/C20H15FN4/c21-16-9-7-14(8-10-16)12-23-20-17-5-1-2-6-18(17)24-19(25-20)15-4-3-11-22-13-15/h1-11,13H,12H2,(H,23,24,25)
InChIKeyJJPUUUNXCNSNJX-UHFFFAOYSA-N
MW330.37 g/mol
LogP4.44
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine

N-[(4-fluorophenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 2454706) has the molecular formula C20H15FN4 and a molecular weight of 330.37 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
PubChem CID2454706
Molecular FormulaC20H15FN4
Molecular Weight330.37 g/mol
Exact Mass330.13
IUPAC NameN-[(4-fluorophenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
SMILESFc1ccc(CNc2nc(-c3cccnc3)nc3ccccc23)cc1
InChIInChI=1S/C20H15FN4/c21-16-9-7-14(8-10-16)12-23-20-17-5-1-2-6-18(17)24-19(25-20)15-4-3-11-22-13-15/h1-11,13H,12H2,(H,23,24,25)
InChIKeyJJPUUUNXCNSNJX-UHFFFAOYSA-N
XLogP4.44
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine (CID 2454706) is N-[(4-fluorophenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine is Fc1ccc(CNc2nc(-c3cccnc3)nc3ccccc23)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is JJPUUUNXCNSNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4/c21-16-9-7-14(8-10-16)12-23-20-17-5-1-2-6-18(17)24-19(25-20)15-4-3-11-22-13-15/h1-11,13H,12H2,(H,23,24,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine?
N-[(4-fluorophenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 330.37 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 2454706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).