7-fluoro-2-methyl-4-(oxan-2-yl)quinoline

C15H16FNO — CID 146169434

IUPAC7-fluoro-2-methyl-4-(oxan-2-yl)quinoline
SMILESCc1cc(C2CCCCO2)c2ccc(F)cc2n1
InChIInChI=1S/C15H16FNO/c1-10-8-13(15-4-2-3-7-18-15)12-6-5-11(16)9-14(12)17-10/h5-6,8-9,15H,2-4,7H2,1H3
InChIKeyZROBUZOYIXZBHA-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.92
Rot. Bonds1

About 7-fluoro-2-methyl-4-(oxan-2-yl)quinoline

7-fluoro-2-methyl-4-(oxan-2-yl)quinoline (PubChem CID 146169434) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 7-fluoro-2-methyl-4-(oxan-2-yl)quinoline.

Molecular Properties

Compound Name7-fluoro-2-methyl-4-(oxan-2-yl)quinoline
PubChem CID146169434
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name7-fluoro-2-methyl-4-(oxan-2-yl)quinoline
SMILESCc1cc(C2CCCCO2)c2ccc(F)cc2n1
InChIInChI=1S/C15H16FNO/c1-10-8-13(15-4-2-3-7-18-15)12-6-5-11(16)9-14(12)17-10/h5-6,8-9,15H,2-4,7H2,1H3
InChIKeyZROBUZOYIXZBHA-UHFFFAOYSA-N
XLogP3.92
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methyl-4-(oxan-2-yl)quinoline?
The IUPAC name of 7-fluoro-2-methyl-4-(oxan-2-yl)quinoline (CID 146169434) is 7-fluoro-2-methyl-4-(oxan-2-yl)quinoline.
What is the SMILES notation for 7-fluoro-2-methyl-4-(oxan-2-yl)quinoline?
The canonical SMILES for 7-fluoro-2-methyl-4-(oxan-2-yl)quinoline is Cc1cc(C2CCCCO2)c2ccc(F)cc2n1.
What is the InChIKey of 7-fluoro-2-methyl-4-(oxan-2-yl)quinoline?
The InChIKey is ZROBUZOYIXZBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-10-8-13(15-4-2-3-7-18-15)12-6-5-11(16)9-14(12)17-10/h5-6,8-9,15H,2-4,7H2,1H3.
What are the key properties of 7-fluoro-2-methyl-4-(oxan-2-yl)quinoline?
7-fluoro-2-methyl-4-(oxan-2-yl)quinoline has a molecular weight of 245.30 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methyl-4-(oxan-2-yl)quinoline is sourced from PubChem (CID 146169434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).