1-(7-fluoro-3-propan-2-ylquinolin-4-yl)-2,5-dihydro-1λ5-phosphole 1-oxide

C16H17FNOP — CID 171446485

IUPAC1-(7-fluoro-3-propan-2-ylquinolin-4-yl)-2,5-dihydro-1λ5-phosphole 1-oxide
SMILESCC(C)c1cnc2cc(F)ccc2c1P1(=O)CC=CC1
InChIInChI=1S/C16H17FNOP/c1-11(2)14-10-18-15-9-12(17)5-6-13(15)16(14)20(19)7-3-4-8-20/h3-6,9-11H,7-8H2,1-2H3
InChIKeyMHOFBQYBZZZIRL-UHFFFAOYSA-N
MW289.29 g/mol
LogP4.06
Rot. Bonds2

About 1-(7-fluoro-3-propan-2-ylquinolin-4-yl)-2,5-dihydro-1λ5-phosphole 1-oxide

1-(7-fluoro-3-propan-2-ylquinolin-4-yl)-2,5-dihydro-1λ5-phosphole 1-oxide (PubChem CID 171446485) has the molecular formula C16H17FNOP and a molecular weight of 289.29 g/mol. Its IUPAC name is 1-(7-fluoro-3-propan-2-ylquinolin-4-yl)-2,5-dihydro-1λ5-phosphole 1-oxide.

Molecular Properties

Compound Name1-(7-fluoro-3-propan-2-ylquinolin-4-yl)-2,5-dihydro-1λ5-phosphole 1-oxide
PubChem CID171446485
Molecular FormulaC16H17FNOP
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name1-(7-fluoro-3-propan-2-ylquinolin-4-yl)-2,5-dihydro-1λ5-phosphole 1-oxide
SMILESCC(C)c1cnc2cc(F)ccc2c1P1(=O)CC=CC1
InChIInChI=1S/C16H17FNOP/c1-11(2)14-10-18-15-9-12(17)5-6-13(15)16(14)20(19)7-3-4-8-20/h3-6,9-11H,7-8H2,1-2H3
InChIKeyMHOFBQYBZZZIRL-UHFFFAOYSA-N
XLogP4.06
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-amino-7-fluoroquinolin-3-yl)ethanol
CID 123249660
7-fluoro-3-propan-2-ylquinoline
CID 118097497
6-fluoro-4-propan-2-ylquinoline
CID 83527062
4-(4-fluorophenyl)-7-methoxy-3-propan-2-ylquinoline
CID 156880047
6-fluoro-1-methyl-3-propan-2-ylindole
CID 58525499
7-fluoro-2-(oxan-4-yl)-4-propan-2-ylquinoline
CID 175841366
7-fluoro-4-(4-fluorophenyl)-3-propan-2-ylquinoline-6-carbaldehyde
CID 156879611
6-fluoro-4-propan-2-ylquinolin-3-ol
CID 105457227
6-fluoro-3-propan-2-ylquinoline
CID 90132820
7-fluoro-3-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]quinazolin-4-one
CID 52541560
9-fluoro-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c]quinolin-5-one
CID 54773066
7-fluoro-3-[3-(methylamino)propyl]quinazolin-4-one
CID 117264462

Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-3-propan-2-ylquinolin-4-yl)-2,5-dihydro-1λ5-phosphole 1-oxide?
The IUPAC name of 1-(7-fluoro-3-propan-2-ylquinolin-4-yl)-2,5-dihydro-1λ5-phosphole 1-oxide (CID 171446485) is 1-(7-fluoro-3-propan-2-ylquinolin-4-yl)-2,5-dihydro-1λ5-phosphole 1-oxide.
What is the SMILES notation for 1-(7-fluoro-3-propan-2-ylquinolin-4-yl)-2,5-dihydro-1λ5-phosphole 1-oxide?
The canonical SMILES for 1-(7-fluoro-3-propan-2-ylquinolin-4-yl)-2,5-dihydro-1λ5-phosphole 1-oxide is CC(C)c1cnc2cc(F)ccc2c1P1(=O)CC=CC1.
What is the InChIKey of 1-(7-fluoro-3-propan-2-ylquinolin-4-yl)-2,5-dihydro-1λ5-phosphole 1-oxide?
The InChIKey is MHOFBQYBZZZIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FNOP/c1-11(2)14-10-18-15-9-12(17)5-6-13(15)16(14)20(19)7-3-4-8-20/h3-6,9-11H,7-8H2,1-2H3.
What are the key properties of 1-(7-fluoro-3-propan-2-ylquinolin-4-yl)-2,5-dihydro-1λ5-phosphole 1-oxide?
1-(7-fluoro-3-propan-2-ylquinolin-4-yl)-2,5-dihydro-1λ5-phosphole 1-oxide has a molecular weight of 289.29 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-3-propan-2-ylquinolin-4-yl)-2,5-dihydro-1λ5-phosphole 1-oxide is sourced from PubChem (CID 171446485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).