(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone

C21H15F2N3O2S — CID 39139406

IUPAC(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
SMILESCc1noc2nc(-c3cccs3)cc(C(=O)N3CCCc4cc(F)c(F)cc43)c12
InChIInChI=1S/C21H15F2N3O2S/c1-11-19-13(9-16(18-5-3-7-29-18)24-20(19)28-25-11)21(27)26-6-2-4-12-8-14(22)15(23)10-17(12)26/h3,5,7-10H,2,4,6H2,1H3
InChIKeyVJVVQKVJBCISKW-UHFFFAOYSA-N
MW411.43 g/mol
LogP5.13
Rot. Bonds2

About (6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone

(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone (PubChem CID 39139406) has the molecular formula C21H15F2N3O2S and a molecular weight of 411.43 g/mol. Its IUPAC name is (6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone.

Molecular Properties

Compound Name(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
PubChem CID39139406
Molecular FormulaC21H15F2N3O2S
Molecular Weight411.43 g/mol
Exact Mass411.09
IUPAC Name(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
SMILESCc1noc2nc(-c3cccs3)cc(C(=O)N3CCCc4cc(F)c(F)cc43)c12
InChIInChI=1S/C21H15F2N3O2S/c1-11-19-13(9-16(18-5-3-7-29-18)24-20(19)28-25-11)21(27)26-6-2-4-12-8-14(22)15(23)10-17(12)26/h3,5,7-10H,2,4,6H2,1H3
InChIKeyVJVVQKVJBCISKW-UHFFFAOYSA-N
XLogP5.13
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.43
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone?
The IUPAC name of (6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone (CID 39139406) is (6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone.
What is the SMILES notation for (6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone?
The canonical SMILES for (6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone is Cc1noc2nc(-c3cccs3)cc(C(=O)N3CCCc4cc(F)c(F)cc43)c12.
What is the InChIKey of (6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone?
The InChIKey is VJVVQKVJBCISKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3O2S/c1-11-19-13(9-16(18-5-3-7-29-18)24-20(19)28-25-11)21(27)26-6-2-4-12-8-14(22)15(23)10-17(12)26/h3,5,7-10H,2,4,6H2,1H3.
What are the key properties of (6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone?
(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone has a molecular weight of 411.43 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone is sourced from PubChem (CID 39139406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).