6-amino-8-chloro-4-[(3-fluoro-1-phenylpropyl)amino]quinoline-3-carbonitrile

C19H16ClFN4 — CID 145229955

IUPAC6-amino-8-chloro-4-[(3-fluoro-1-phenylpropyl)amino]quinoline-3-carbonitrile
SMILESN#Cc1cnc2c(Cl)cc(N)cc2c1NC(CCF)c1ccccc1
InChIInChI=1S/C19H16ClFN4/c20-16-9-14(23)8-15-18(13(10-22)11-24-19(15)16)25-17(6-7-21)12-4-2-1-3-5-12/h1-5,8-9,11,17H,6-7,23H2,(H,24,25)
InChIKeyZTWVXQOEOPSLEN-UHFFFAOYSA-N
MW354.82 g/mol
LogP4.85
Rot. Bonds5

About 6-amino-8-chloro-4-[(3-fluoro-1-phenylpropyl)amino]quinoline-3-carbonitrile

6-amino-8-chloro-4-[(3-fluoro-1-phenylpropyl)amino]quinoline-3-carbonitrile (PubChem CID 145229955) has the molecular formula C19H16ClFN4 and a molecular weight of 354.82 g/mol. Its IUPAC name is 6-amino-8-chloro-4-[(3-fluoro-1-phenylpropyl)amino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-amino-8-chloro-4-[(3-fluoro-1-phenylpropyl)amino]quinoline-3-carbonitrile
PubChem CID145229955
Molecular FormulaC19H16ClFN4
Molecular Weight354.82 g/mol
Exact Mass354.10
IUPAC Name6-amino-8-chloro-4-[(3-fluoro-1-phenylpropyl)amino]quinoline-3-carbonitrile
SMILESN#Cc1cnc2c(Cl)cc(N)cc2c1NC(CCF)c1ccccc1
InChIInChI=1S/C19H16ClFN4/c20-16-9-14(23)8-15-18(13(10-22)11-24-19(15)16)25-17(6-7-21)12-4-2-1-3-5-12/h1-5,8-9,11,17H,6-7,23H2,(H,24,25)
InChIKeyZTWVXQOEOPSLEN-UHFFFAOYSA-N
XLogP4.85
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-8-chloro-4-[(3-fluoro-1-phenylpropyl)amino]quinoline-3-carbonitrile?
The IUPAC name of 6-amino-8-chloro-4-[(3-fluoro-1-phenylpropyl)amino]quinoline-3-carbonitrile (CID 145229955) is 6-amino-8-chloro-4-[(3-fluoro-1-phenylpropyl)amino]quinoline-3-carbonitrile.
What is the SMILES notation for 6-amino-8-chloro-4-[(3-fluoro-1-phenylpropyl)amino]quinoline-3-carbonitrile?
The canonical SMILES for 6-amino-8-chloro-4-[(3-fluoro-1-phenylpropyl)amino]quinoline-3-carbonitrile is N#Cc1cnc2c(Cl)cc(N)cc2c1NC(CCF)c1ccccc1.
What is the InChIKey of 6-amino-8-chloro-4-[(3-fluoro-1-phenylpropyl)amino]quinoline-3-carbonitrile?
The InChIKey is ZTWVXQOEOPSLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4/c20-16-9-14(23)8-15-18(13(10-22)11-24-19(15)16)25-17(6-7-21)12-4-2-1-3-5-12/h1-5,8-9,11,17H,6-7,23H2,(H,24,25).
What are the key properties of 6-amino-8-chloro-4-[(3-fluoro-1-phenylpropyl)amino]quinoline-3-carbonitrile?
6-amino-8-chloro-4-[(3-fluoro-1-phenylpropyl)amino]quinoline-3-carbonitrile has a molecular weight of 354.82 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-8-chloro-4-[(3-fluoro-1-phenylpropyl)amino]quinoline-3-carbonitrile is sourced from PubChem (CID 145229955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).