1-(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone

C16H16F2N2O2 — CID 39139098

IUPAC1-(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
SMILESCc1noc(C)c1CC(=O)N1CCCc2cc(F)c(F)cc21
InChIInChI=1S/C16H16F2N2O2/c1-9-12(10(2)22-19-9)7-16(21)20-5-3-4-11-6-13(17)14(18)8-15(11)20/h6,8H,3-5,7H2,1-2H3
InChIKeyMFLSFRCTUZKPPT-UHFFFAOYSA-N
MW306.31 g/mol
LogP3.09
Rot. Bonds2

About 1-(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone

1-(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone (PubChem CID 39139098) has the molecular formula C16H16F2N2O2 and a molecular weight of 306.31 g/mol. Its IUPAC name is 1-(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
PubChem CID39139098
Molecular FormulaC16H16F2N2O2
Molecular Weight306.31 g/mol
Exact Mass306.12
IUPAC Name1-(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
SMILESCc1noc(C)c1CC(=O)N1CCCc2cc(F)c(F)cc21
InChIInChI=1S/C16H16F2N2O2/c1-9-12(10(2)22-19-9)7-16(21)20-5-3-4-11-6-13(17)14(18)8-15(11)20/h6,8H,3-5,7H2,1-2H3
InChIKeyMFLSFRCTUZKPPT-UHFFFAOYSA-N
XLogP3.09
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone with MolForge

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
CID 37161899
(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
CID 39139703
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 46543036
1-(4-cyclopropylidenepiperidin-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 121184167
1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 122281312
1-(4-acetyl-1,4-diazepan-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 51075305
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone
CID 43035214
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 31114163
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 55872913
[4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 19445381
(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(furan-3-yl)methanone
CID 39139403
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(3-fluoro-4-morpholin-4-ylbenzoyl)piperazin-1-yl]ethanone
CID 86896371

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone?
The IUPAC name of 1-(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone (CID 39139098) is 1-(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone.
What is the SMILES notation for 1-(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone?
The canonical SMILES for 1-(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone is Cc1noc(C)c1CC(=O)N1CCCc2cc(F)c(F)cc21.
What is the InChIKey of 1-(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone?
The InChIKey is MFLSFRCTUZKPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O2/c1-9-12(10(2)22-19-9)7-16(21)20-5-3-4-11-6-13(17)14(18)8-15(11)20/h6,8H,3-5,7H2,1-2H3.
What are the key properties of 1-(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone?
1-(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone has a molecular weight of 306.31 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone is sourced from PubChem (CID 39139098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).