2,5-difluoro-4-(quinolin-4-ylmethyl)aniline

C16H12F2N2 — CID 107615849

IUPAC2,5-difluoro-4-(quinolin-4-ylmethyl)aniline
SMILESNc1cc(F)c(Cc2ccnc3ccccc23)cc1F
InChIInChI=1S/C16H12F2N2/c17-13-9-15(19)14(18)8-11(13)7-10-5-6-20-16-4-2-1-3-12(10)16/h1-6,8-9H,7,19H2
InChIKeyQREZXZUVIDCRCZ-UHFFFAOYSA-N
MW270.28 g/mol
LogP3.69
Rot. Bonds2

About 2,5-difluoro-4-(quinolin-4-ylmethyl)aniline

2,5-difluoro-4-(quinolin-4-ylmethyl)aniline (PubChem CID 107615849) has the molecular formula C16H12F2N2 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2,5-difluoro-4-(quinolin-4-ylmethyl)aniline.

Molecular Properties

Compound Name2,5-difluoro-4-(quinolin-4-ylmethyl)aniline
PubChem CID107615849
Molecular FormulaC16H12F2N2
Molecular Weight270.28 g/mol
Exact Mass270.10
IUPAC Name2,5-difluoro-4-(quinolin-4-ylmethyl)aniline
SMILESNc1cc(F)c(Cc2ccnc3ccccc23)cc1F
InChIInChI=1S/C16H12F2N2/c17-13-9-15(19)14(18)8-11(13)7-10-5-6-20-16-4-2-1-3-12(10)16/h1-6,8-9H,7,19H2
InChIKeyQREZXZUVIDCRCZ-UHFFFAOYSA-N
XLogP3.69
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-(quinolin-4-ylmethyl)aniline?
The IUPAC name of 2,5-difluoro-4-(quinolin-4-ylmethyl)aniline (CID 107615849) is 2,5-difluoro-4-(quinolin-4-ylmethyl)aniline.
What is the SMILES notation for 2,5-difluoro-4-(quinolin-4-ylmethyl)aniline?
The canonical SMILES for 2,5-difluoro-4-(quinolin-4-ylmethyl)aniline is Nc1cc(F)c(Cc2ccnc3ccccc23)cc1F.
What is the InChIKey of 2,5-difluoro-4-(quinolin-4-ylmethyl)aniline?
The InChIKey is QREZXZUVIDCRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2/c17-13-9-15(19)14(18)8-11(13)7-10-5-6-20-16-4-2-1-3-12(10)16/h1-6,8-9H,7,19H2.
What are the key properties of 2,5-difluoro-4-(quinolin-4-ylmethyl)aniline?
2,5-difluoro-4-(quinolin-4-ylmethyl)aniline has a molecular weight of 270.28 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-(quinolin-4-ylmethyl)aniline is sourced from PubChem (CID 107615849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).