(8-bromo-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(5-methyl-1,3-oxazol-4-yl)methanone

C15H15BrN2O2 — CID 126833284

IUPAC(8-bromo-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(5-methyl-1,3-oxazol-4-yl)methanone
SMILESCc1cc(Br)c2c(c1)CCCN2C(=O)c1ncoc1C
InChIInChI=1S/C15H15BrN2O2/c1-9-6-11-4-3-5-18(14(11)12(16)7-9)15(19)13-10(2)20-8-17-13/h6-8H,3-5H2,1-2H3
InChIKeyFGNSDBDLGIBAJS-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.65
Rot. Bonds1

About (8-bromo-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(5-methyl-1,3-oxazol-4-yl)methanone

(8-bromo-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(5-methyl-1,3-oxazol-4-yl)methanone (PubChem CID 126833284) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is (8-bromo-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(5-methyl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name(8-bromo-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(5-methyl-1,3-oxazol-4-yl)methanone
PubChem CID126833284
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name(8-bromo-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(5-methyl-1,3-oxazol-4-yl)methanone
SMILESCc1cc(Br)c2c(c1)CCCN2C(=O)c1ncoc1C
InChIInChI=1S/C15H15BrN2O2/c1-9-6-11-4-3-5-18(14(11)12(16)7-9)15(19)13-10(2)20-8-17-13/h6-8H,3-5H2,1-2H3
InChIKeyFGNSDBDLGIBAJS-UHFFFAOYSA-N
XLogP3.65
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8-bromo-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(5-methyl-1,3-oxazol-4-yl)methanone?
The IUPAC name of (8-bromo-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(5-methyl-1,3-oxazol-4-yl)methanone (CID 126833284) is (8-bromo-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(5-methyl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for (8-bromo-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(5-methyl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for (8-bromo-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(5-methyl-1,3-oxazol-4-yl)methanone is Cc1cc(Br)c2c(c1)CCCN2C(=O)c1ncoc1C.
What is the InChIKey of (8-bromo-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(5-methyl-1,3-oxazol-4-yl)methanone?
The InChIKey is FGNSDBDLGIBAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-9-6-11-4-3-5-18(14(11)12(16)7-9)15(19)13-10(2)20-8-17-13/h6-8H,3-5H2,1-2H3.
What are the key properties of (8-bromo-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(5-methyl-1,3-oxazol-4-yl)methanone?
(8-bromo-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(5-methyl-1,3-oxazol-4-yl)methanone has a molecular weight of 335.20 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-bromo-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(5-methyl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 126833284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).