6-fluoro-4-(3-methoxyanilino)quinoline-3-carbonitrile

C17H12FN3O — CID 50768577

IUPAC6-fluoro-4-(3-methoxyanilino)quinoline-3-carbonitrile
SMILESCOc1cccc(Nc2c(C#N)cnc3ccc(F)cc23)c1
InChIInChI=1S/C17H12FN3O/c1-22-14-4-2-3-13(8-14)21-17-11(9-19)10-20-16-6-5-12(18)7-15(16)17/h2-8,10H,1H3,(H,20,21)
InChIKeyFWCVMEPMASSJQA-UHFFFAOYSA-N
MW293.30 g/mol
LogP4.00
Rot. Bonds3

About 6-fluoro-4-(3-methoxyanilino)quinoline-3-carbonitrile

6-fluoro-4-(3-methoxyanilino)quinoline-3-carbonitrile (PubChem CID 50768577) has the molecular formula C17H12FN3O and a molecular weight of 293.30 g/mol. Its IUPAC name is 6-fluoro-4-(3-methoxyanilino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-fluoro-4-(3-methoxyanilino)quinoline-3-carbonitrile
PubChem CID50768577
Molecular FormulaC17H12FN3O
Molecular Weight293.30 g/mol
Exact Mass293.10
IUPAC Name6-fluoro-4-(3-methoxyanilino)quinoline-3-carbonitrile
SMILESCOc1cccc(Nc2c(C#N)cnc3ccc(F)cc23)c1
InChIInChI=1S/C17H12FN3O/c1-22-14-4-2-3-13(8-14)21-17-11(9-19)10-20-16-6-5-12(18)7-15(16)17/h2-8,10H,1H3,(H,20,21)
InChIKeyFWCVMEPMASSJQA-UHFFFAOYSA-N
XLogP4.00
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-(3-methoxyanilino)quinoline-3-carbonitrile?
The IUPAC name of 6-fluoro-4-(3-methoxyanilino)quinoline-3-carbonitrile (CID 50768577) is 6-fluoro-4-(3-methoxyanilino)quinoline-3-carbonitrile.
What is the SMILES notation for 6-fluoro-4-(3-methoxyanilino)quinoline-3-carbonitrile?
The canonical SMILES for 6-fluoro-4-(3-methoxyanilino)quinoline-3-carbonitrile is COc1cccc(Nc2c(C#N)cnc3ccc(F)cc23)c1.
What is the InChIKey of 6-fluoro-4-(3-methoxyanilino)quinoline-3-carbonitrile?
The InChIKey is FWCVMEPMASSJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O/c1-22-14-4-2-3-13(8-14)21-17-11(9-19)10-20-16-6-5-12(18)7-15(16)17/h2-8,10H,1H3,(H,20,21).
What are the key properties of 6-fluoro-4-(3-methoxyanilino)quinoline-3-carbonitrile?
6-fluoro-4-(3-methoxyanilino)quinoline-3-carbonitrile has a molecular weight of 293.30 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-(3-methoxyanilino)quinoline-3-carbonitrile is sourced from PubChem (CID 50768577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).