7-fluoro-2-(oxan-4-yl)-4-propan-2-ylquinoline

C17H20FNO — CID 175841366

IUPAC7-fluoro-2-(oxan-4-yl)-4-propan-2-ylquinoline
SMILESCC(C)c1cc(C2CCOCC2)nc2cc(F)ccc12
InChIInChI=1S/C17H20FNO/c1-11(2)15-10-16(12-5-7-20-8-6-12)19-17-9-13(18)3-4-14(15)17/h3-4,9-12H,5-8H2,1-2H3
InChIKeyBPLVDDSYJQPSSZ-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.39
Rot. Bonds2

About 7-fluoro-2-(oxan-4-yl)-4-propan-2-ylquinoline

7-fluoro-2-(oxan-4-yl)-4-propan-2-ylquinoline (PubChem CID 175841366) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 7-fluoro-2-(oxan-4-yl)-4-propan-2-ylquinoline.

Molecular Properties

Compound Name7-fluoro-2-(oxan-4-yl)-4-propan-2-ylquinoline
PubChem CID175841366
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name7-fluoro-2-(oxan-4-yl)-4-propan-2-ylquinoline
SMILESCC(C)c1cc(C2CCOCC2)nc2cc(F)ccc12
InChIInChI=1S/C17H20FNO/c1-11(2)15-10-16(12-5-7-20-8-6-12)19-17-9-13(18)3-4-14(15)17/h3-4,9-12H,5-8H2,1-2H3
InChIKeyBPLVDDSYJQPSSZ-UHFFFAOYSA-N
XLogP4.39
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-(oxan-4-yl)-4-propan-2-ylquinoline?
The IUPAC name of 7-fluoro-2-(oxan-4-yl)-4-propan-2-ylquinoline (CID 175841366) is 7-fluoro-2-(oxan-4-yl)-4-propan-2-ylquinoline.
What is the SMILES notation for 7-fluoro-2-(oxan-4-yl)-4-propan-2-ylquinoline?
The canonical SMILES for 7-fluoro-2-(oxan-4-yl)-4-propan-2-ylquinoline is CC(C)c1cc(C2CCOCC2)nc2cc(F)ccc12.
What is the InChIKey of 7-fluoro-2-(oxan-4-yl)-4-propan-2-ylquinoline?
The InChIKey is BPLVDDSYJQPSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-11(2)15-10-16(12-5-7-20-8-6-12)19-17-9-13(18)3-4-14(15)17/h3-4,9-12H,5-8H2,1-2H3.
What are the key properties of 7-fluoro-2-(oxan-4-yl)-4-propan-2-ylquinoline?
7-fluoro-2-(oxan-4-yl)-4-propan-2-ylquinoline has a molecular weight of 273.35 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-(oxan-4-yl)-4-propan-2-ylquinoline is sourced from PubChem (CID 175841366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).