4-(4-amino-3-fluorophenoxy)-7-propylquinoline-6-carbonitrile

C19H16FN3O — CID 142137157

IUPAC4-(4-amino-3-fluorophenoxy)-7-propylquinoline-6-carbonitrile
SMILESCCCc1cc2nccc(Oc3ccc(N)c(F)c3)c2cc1C#N
InChIInChI=1S/C19H16FN3O/c1-2-3-12-9-18-15(8-13(12)11-21)19(6-7-23-18)24-14-4-5-17(22)16(20)10-14/h4-10H,2-3,22H2,1H3
InChIKeyPIKODARXDTXYLR-UHFFFAOYSA-N
MW321.36 g/mol
LogP4.57
Rot. Bonds4

About 4-(4-amino-3-fluorophenoxy)-7-propylquinoline-6-carbonitrile

4-(4-amino-3-fluorophenoxy)-7-propylquinoline-6-carbonitrile (PubChem CID 142137157) has the molecular formula C19H16FN3O and a molecular weight of 321.36 g/mol. Its IUPAC name is 4-(4-amino-3-fluorophenoxy)-7-propylquinoline-6-carbonitrile.

Molecular Properties

Compound Name4-(4-amino-3-fluorophenoxy)-7-propylquinoline-6-carbonitrile
PubChem CID142137157
Molecular FormulaC19H16FN3O
Molecular Weight321.36 g/mol
Exact Mass321.13
IUPAC Name4-(4-amino-3-fluorophenoxy)-7-propylquinoline-6-carbonitrile
SMILESCCCc1cc2nccc(Oc3ccc(N)c(F)c3)c2cc1C#N
InChIInChI=1S/C19H16FN3O/c1-2-3-12-9-18-15(8-13(12)11-21)19(6-7-23-18)24-14-4-5-17(22)16(20)10-14/h4-10H,2-3,22H2,1H3
InChIKeyPIKODARXDTXYLR-UHFFFAOYSA-N
XLogP4.57
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-aminophenoxy)-7-methylquinoline-6-carbonitrile
CID 89363462
4-(4-amino-3-methylphenoxy)-7-[[(2R)-oxiran-2-yl]methoxy]quinoline-6-carbonitrile
CID 88946677
1-[4-(6-cyano-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(2,4-difluorophenyl)urea
CID 22936280
4-(3-amino-4-chlorophenoxy)-7-(2-pyrrolidin-1-ylethoxy)quinoline-6-carbonitrile
CID 22937024
4-(4-aminophenoxy)-7-(2-methoxyethoxy)quinoline-6-carbonitrile;7-(2-methoxyethoxy)-4-(4-nitrophenoxy)quinoline-6-carbonitrile
CID 160747273
4-(4-amino-3-fluorophenoxy)-2-methylbenzonitrile
CID 81278641
4-(7-butoxy-6-methoxyquinolin-4-yl)oxy-2-chloroaniline
CID 89257165
1-[4-[6-cyano-7-[3-(diethylamino)propoxy]quinolin-4-yl]oxy-2-fluorophenyl]-3-(2,4-difluorophenyl)urea
CID 10166579
1-[4-[7-(3-aminopropoxy)-6-cyanoquinolin-4-yl]oxy-2-fluorophenyl]-3-(4-fluorophenyl)urea
CID 70953718
3-(4-amino-3-fluorophenoxy)pyrazine-2-carbonitrile
CID 62672882
2-amino-5-(2-fluorophenoxy)benzonitrile
CID 115499740
sodium 1-[4-(6-cyano-7-hydroxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(4-fluorophenyl)urea
CID 135829377

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-fluorophenoxy)-7-propylquinoline-6-carbonitrile?
The IUPAC name of 4-(4-amino-3-fluorophenoxy)-7-propylquinoline-6-carbonitrile (CID 142137157) is 4-(4-amino-3-fluorophenoxy)-7-propylquinoline-6-carbonitrile.
What is the SMILES notation for 4-(4-amino-3-fluorophenoxy)-7-propylquinoline-6-carbonitrile?
The canonical SMILES for 4-(4-amino-3-fluorophenoxy)-7-propylquinoline-6-carbonitrile is CCCc1cc2nccc(Oc3ccc(N)c(F)c3)c2cc1C#N.
What is the InChIKey of 4-(4-amino-3-fluorophenoxy)-7-propylquinoline-6-carbonitrile?
The InChIKey is PIKODARXDTXYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O/c1-2-3-12-9-18-15(8-13(12)11-21)19(6-7-23-18)24-14-4-5-17(22)16(20)10-14/h4-10H,2-3,22H2,1H3.
What are the key properties of 4-(4-amino-3-fluorophenoxy)-7-propylquinoline-6-carbonitrile?
4-(4-amino-3-fluorophenoxy)-7-propylquinoline-6-carbonitrile has a molecular weight of 321.36 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-fluorophenoxy)-7-propylquinoline-6-carbonitrile is sourced from PubChem (CID 142137157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).