(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone

C20H15F3N2O2 — CID 39139703

IUPAC(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
SMILESCc1onc(-c2ccc(F)cc2)c1C(=O)N1CCCc2cc(F)c(F)cc21
InChIInChI=1S/C20H15F3N2O2/c1-11-18(19(24-27-11)12-4-6-14(21)7-5-12)20(26)25-8-2-3-13-9-15(22)16(23)10-17(13)25/h4-7,9-10H,2-3,8H2,1H3
InChIKeyBXSBTUKZDORWOC-UHFFFAOYSA-N
MW372.35 g/mol
LogP4.66
Rot. Bonds2

About (6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone

(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone (PubChem CID 39139703) has the molecular formula C20H15F3N2O2 and a molecular weight of 372.35 g/mol. Its IUPAC name is (6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone.

Molecular Properties

Compound Name(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
PubChem CID39139703
Molecular FormulaC20H15F3N2O2
Molecular Weight372.35 g/mol
Exact Mass372.11
IUPAC Name(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
SMILESCc1onc(-c2ccc(F)cc2)c1C(=O)N1CCCc2cc(F)c(F)cc21
InChIInChI=1S/C20H15F3N2O2/c1-11-18(19(24-27-11)12-4-6-14(21)7-5-12)20(26)25-8-2-3-13-9-15(22)16(23)10-17(13)25/h4-7,9-10H,2-3,8H2,1H3
InChIKeyBXSBTUKZDORWOC-UHFFFAOYSA-N
XLogP4.66
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone?
The IUPAC name of (6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone (CID 39139703) is (6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone.
What is the SMILES notation for (6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone?
The canonical SMILES for (6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone is Cc1onc(-c2ccc(F)cc2)c1C(=O)N1CCCc2cc(F)c(F)cc21.
What is the InChIKey of (6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone?
The InChIKey is BXSBTUKZDORWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O2/c1-11-18(19(24-27-11)12-4-6-14(21)7-5-12)20(26)25-8-2-3-13-9-15(22)16(23)10-17(13)25/h4-7,9-10H,2-3,8H2,1H3.
What are the key properties of (6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone?
(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone has a molecular weight of 372.35 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone is sourced from PubChem (CID 39139703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).