2-(4-fluoroanilino)-2-quinolin-6-ylacetonitrile

C17H12FN3 — CID 63969132

IUPAC2-(4-fluoroanilino)-2-quinolin-6-ylacetonitrile
SMILESN#CC(Nc1ccc(F)cc1)c1ccc2ncccc2c1
InChIInChI=1S/C17H12FN3/c18-14-4-6-15(7-5-14)21-17(11-19)13-3-8-16-12(10-13)2-1-9-20-16/h1-10,17,21H
InChIKeyXDWVLYTZCXGISF-UHFFFAOYSA-N
MW277.30 g/mol
LogP4.05
Rot. Bonds3

About 2-(4-fluoroanilino)-2-quinolin-6-ylacetonitrile

2-(4-fluoroanilino)-2-quinolin-6-ylacetonitrile (PubChem CID 63969132) has the molecular formula C17H12FN3 and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-2-quinolin-6-ylacetonitrile.

Molecular Properties

Compound Name2-(4-fluoroanilino)-2-quinolin-6-ylacetonitrile
PubChem CID63969132
Molecular FormulaC17H12FN3
Molecular Weight277.30 g/mol
Exact Mass277.10
IUPAC Name2-(4-fluoroanilino)-2-quinolin-6-ylacetonitrile
SMILESN#CC(Nc1ccc(F)cc1)c1ccc2ncccc2c1
InChIInChI=1S/C17H12FN3/c18-14-4-6-15(7-5-14)21-17(11-19)13-3-8-16-12(10-13)2-1-9-20-16/h1-10,17,21H
InChIKeyXDWVLYTZCXGISF-UHFFFAOYSA-N
XLogP4.05
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(propan-2-ylamino)-2-quinolin-6-ylacetonitrile
CID 63968719
2-(3,4-difluorophenyl)-2-(4-fluoroanilino)acetonitrile
CID 54886674
[(4-fluorophenyl)-quinolin-6-ylmethyl]hydrazine
CID 105192827
2-(cyclopropylmethylamino)-2-quinolin-6-ylacetonitrile
CID 63969155
2-amino-2-quinolin-6-ylacetonitrile
CID 63968103
2-(4-bromoanilino)-2-(4-fluorophenyl)acetonitrile
CID 54886157
2-[2-(diethylamino)ethylamino]-2-quinolin-6-ylacetonitrile
CID 63968929
2-(3-bromo-4-methylphenyl)-2-(4-fluoroanilino)acetonitrile
CID 105401756
2-(4-ethylphenyl)-2-(4-fluoroanilino)acetonitrile
CID 54886631
2-quinolin-6-yl-2-trimethylsilyloxyacetonitrile
CID 63970187
N-[1-(3,4-difluorophenyl)ethyl]quinolin-6-amine
CID 62634409
2-(4-fluorophenyl)sulfanyl-1-quinolin-6-ylethanamine
CID 81229129

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-2-quinolin-6-ylacetonitrile?
The IUPAC name of 2-(4-fluoroanilino)-2-quinolin-6-ylacetonitrile (CID 63969132) is 2-(4-fluoroanilino)-2-quinolin-6-ylacetonitrile.
What is the SMILES notation for 2-(4-fluoroanilino)-2-quinolin-6-ylacetonitrile?
The canonical SMILES for 2-(4-fluoroanilino)-2-quinolin-6-ylacetonitrile is N#CC(Nc1ccc(F)cc1)c1ccc2ncccc2c1.
What is the InChIKey of 2-(4-fluoroanilino)-2-quinolin-6-ylacetonitrile?
The InChIKey is XDWVLYTZCXGISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3/c18-14-4-6-15(7-5-14)21-17(11-19)13-3-8-16-12(10-13)2-1-9-20-16/h1-10,17,21H.
What are the key properties of 2-(4-fluoroanilino)-2-quinolin-6-ylacetonitrile?
2-(4-fluoroanilino)-2-quinolin-6-ylacetonitrile has a molecular weight of 277.30 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-2-quinolin-6-ylacetonitrile is sourced from PubChem (CID 63969132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).