(2-cyclobutyl-1,3-oxazol-4-yl)-(8-fluoro-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C18H19FN2O2 — CID 138030893

IUPAC(2-cyclobutyl-1,3-oxazol-4-yl)-(8-fluoro-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC1Cc2cccc(F)c2N(C(=O)c2coc(C3CCC3)n2)C1
InChIInChI=1S/C18H19FN2O2/c1-11-8-13-6-3-7-14(19)16(13)21(9-11)18(22)15-10-23-17(20-15)12-4-2-5-12/h3,6-7,10-12H,2,4-5,8-9H2,1H3
InChIKeyRRBSEVZBZZAYQI-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.92
Rot. Bonds2

About (2-cyclobutyl-1,3-oxazol-4-yl)-(8-fluoro-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

(2-cyclobutyl-1,3-oxazol-4-yl)-(8-fluoro-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 138030893) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is (2-cyclobutyl-1,3-oxazol-4-yl)-(8-fluoro-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(2-cyclobutyl-1,3-oxazol-4-yl)-(8-fluoro-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID138030893
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name(2-cyclobutyl-1,3-oxazol-4-yl)-(8-fluoro-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC1Cc2cccc(F)c2N(C(=O)c2coc(C3CCC3)n2)C1
InChIInChI=1S/C18H19FN2O2/c1-11-8-13-6-3-7-14(19)16(13)21(9-11)18(22)15-10-23-17(20-15)12-4-2-5-12/h3,6-7,10-12H,2,4-5,8-9H2,1H3
InChIKeyRRBSEVZBZZAYQI-UHFFFAOYSA-N
XLogP3.92
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-cyclobutyl-1,3-oxazol-4-yl)-(8-fluoro-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (2-cyclobutyl-1,3-oxazol-4-yl)-(8-fluoro-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 138030893) is (2-cyclobutyl-1,3-oxazol-4-yl)-(8-fluoro-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (2-cyclobutyl-1,3-oxazol-4-yl)-(8-fluoro-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (2-cyclobutyl-1,3-oxazol-4-yl)-(8-fluoro-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is CC1Cc2cccc(F)c2N(C(=O)c2coc(C3CCC3)n2)C1.
What is the InChIKey of (2-cyclobutyl-1,3-oxazol-4-yl)-(8-fluoro-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is RRBSEVZBZZAYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-11-8-13-6-3-7-14(19)16(13)21(9-11)18(22)15-10-23-17(20-15)12-4-2-5-12/h3,6-7,10-12H,2,4-5,8-9H2,1H3.
What are the key properties of (2-cyclobutyl-1,3-oxazol-4-yl)-(8-fluoro-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
(2-cyclobutyl-1,3-oxazol-4-yl)-(8-fluoro-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 314.36 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclobutyl-1,3-oxazol-4-yl)-(8-fluoro-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 138030893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).