1-N-(2-fluoroethyl)-4-N-quinazolin-2-ylbenzene-1,4-diamine

C16H15FN4 — CID 154515167

IUPAC1-N-(2-fluoroethyl)-4-N-quinazolin-2-ylbenzene-1,4-diamine
SMILESFCCNc1ccc(Nc2ncc3ccccc3n2)cc1
InChIInChI=1S/C16H15FN4/c17-9-10-18-13-5-7-14(8-6-13)20-16-19-11-12-3-1-2-4-15(12)21-16/h1-8,11,18H,9-10H2,(H,19,20,21)
InChIKeyKZJVZFCGNGRGEP-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.75
Rot. Bonds5

About 1-N-(2-fluoroethyl)-4-N-quinazolin-2-ylbenzene-1,4-diamine

1-N-(2-fluoroethyl)-4-N-quinazolin-2-ylbenzene-1,4-diamine (PubChem CID 154515167) has the molecular formula C16H15FN4 and a molecular weight of 282.32 g/mol. Its IUPAC name is 1-N-(2-fluoroethyl)-4-N-quinazolin-2-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(2-fluoroethyl)-4-N-quinazolin-2-ylbenzene-1,4-diamine
PubChem CID154515167
Molecular FormulaC16H15FN4
Molecular Weight282.32 g/mol
Exact Mass282.13
IUPAC Name1-N-(2-fluoroethyl)-4-N-quinazolin-2-ylbenzene-1,4-diamine
SMILESFCCNc1ccc(Nc2ncc3ccccc3n2)cc1
InChIInChI=1S/C16H15FN4/c17-9-10-18-13-5-7-14(8-6-13)20-16-19-11-12-3-1-2-4-15(12)21-16/h1-8,11,18H,9-10H2,(H,19,20,21)
InChIKeyKZJVZFCGNGRGEP-UHFFFAOYSA-N
XLogP3.75
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-(2-fluoroethyl)-4-N-quinazolin-2-ylbenzene-1,4-diamine?
The IUPAC name of 1-N-(2-fluoroethyl)-4-N-quinazolin-2-ylbenzene-1,4-diamine (CID 154515167) is 1-N-(2-fluoroethyl)-4-N-quinazolin-2-ylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-(2-fluoroethyl)-4-N-quinazolin-2-ylbenzene-1,4-diamine?
The canonical SMILES for 1-N-(2-fluoroethyl)-4-N-quinazolin-2-ylbenzene-1,4-diamine is FCCNc1ccc(Nc2ncc3ccccc3n2)cc1.
What is the InChIKey of 1-N-(2-fluoroethyl)-4-N-quinazolin-2-ylbenzene-1,4-diamine?
The InChIKey is KZJVZFCGNGRGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4/c17-9-10-18-13-5-7-14(8-6-13)20-16-19-11-12-3-1-2-4-15(12)21-16/h1-8,11,18H,9-10H2,(H,19,20,21).
What are the key properties of 1-N-(2-fluoroethyl)-4-N-quinazolin-2-ylbenzene-1,4-diamine?
1-N-(2-fluoroethyl)-4-N-quinazolin-2-ylbenzene-1,4-diamine has a molecular weight of 282.32 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-fluoroethyl)-4-N-quinazolin-2-ylbenzene-1,4-diamine is sourced from PubChem (CID 154515167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).