4-N-(3-fluorophenyl)-2-N-phenylquinazoline-2,4-diamine

C20H15FN4 — CID 164609727

IUPAC4-N-(3-fluorophenyl)-2-N-phenylquinazoline-2,4-diamine
SMILESFc1cccc(Nc2nc(Nc3ccccc3)nc3ccccc23)c1
InChIInChI=1S/C20H15FN4/c21-14-7-6-10-16(13-14)22-19-17-11-4-5-12-18(17)24-20(25-19)23-15-8-2-1-3-9-15/h1-13H,(H2,22,23,24,25)
InChIKeyGTQHLFRJGSCNIE-UHFFFAOYSA-N
MW330.37 g/mol
LogP5.26
Rot. Bonds4

About 4-N-(3-fluorophenyl)-2-N-phenylquinazoline-2,4-diamine

4-N-(3-fluorophenyl)-2-N-phenylquinazoline-2,4-diamine (PubChem CID 164609727) has the molecular formula C20H15FN4 and a molecular weight of 330.37 g/mol. Its IUPAC name is 4-N-(3-fluorophenyl)-2-N-phenylquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-fluorophenyl)-2-N-phenylquinazoline-2,4-diamine
PubChem CID164609727
Molecular FormulaC20H15FN4
Molecular Weight330.37 g/mol
Exact Mass330.13
IUPAC Name4-N-(3-fluorophenyl)-2-N-phenylquinazoline-2,4-diamine
SMILESFc1cccc(Nc2nc(Nc3ccccc3)nc3ccccc23)c1
InChIInChI=1S/C20H15FN4/c21-14-7-6-10-16(13-14)22-19-17-11-4-5-12-18(17)24-20(25-19)23-15-8-2-1-3-9-15/h1-13H,(H2,22,23,24,25)
InChIKeyGTQHLFRJGSCNIE-UHFFFAOYSA-N
XLogP5.26
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.37
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-fluorophenyl)-2-N-phenylquinazoline-2,4-diamine?
The IUPAC name of 4-N-(3-fluorophenyl)-2-N-phenylquinazoline-2,4-diamine (CID 164609727) is 4-N-(3-fluorophenyl)-2-N-phenylquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(3-fluorophenyl)-2-N-phenylquinazoline-2,4-diamine?
The canonical SMILES for 4-N-(3-fluorophenyl)-2-N-phenylquinazoline-2,4-diamine is Fc1cccc(Nc2nc(Nc3ccccc3)nc3ccccc23)c1.
What is the InChIKey of 4-N-(3-fluorophenyl)-2-N-phenylquinazoline-2,4-diamine?
The InChIKey is GTQHLFRJGSCNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4/c21-14-7-6-10-16(13-14)22-19-17-11-4-5-12-18(17)24-20(25-19)23-15-8-2-1-3-9-15/h1-13H,(H2,22,23,24,25).
What are the key properties of 4-N-(3-fluorophenyl)-2-N-phenylquinazoline-2,4-diamine?
4-N-(3-fluorophenyl)-2-N-phenylquinazoline-2,4-diamine has a molecular weight of 330.37 g/mol, XLogP of 5.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-fluorophenyl)-2-N-phenylquinazoline-2,4-diamine is sourced from PubChem (CID 164609727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).