6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2-methyl-[1,2]oxazolo[4,5-b]pyridin-3-one

C22H18F2N4O3 — CID 176733505

IUPAC6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2-methyl-[1,2]oxazolo[4,5-b]pyridin-3-one
SMILESCn1oc2cc(-c3cccc4cc(C(=O)N5CCC(F)(F)CC5)cnc34)cnc2c1=O
InChIInChI=1S/C22H18F2N4O3/c1-27-21(30)19-17(31-27)10-14(11-26-19)16-4-2-3-13-9-15(12-25-18(13)16)20(29)28-7-5-22(23,24)6-8-28/h2-4,9-12H,5-8H2,1H3
InChIKeyINKIEYITVGIYMV-UHFFFAOYSA-N
MW424.41 g/mol
LogP3.61
Rot. Bonds2

About 6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2-methyl-[1,2]oxazolo[4,5-b]pyridin-3-one

6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2-methyl-[1,2]oxazolo[4,5-b]pyridin-3-one (PubChem CID 176733505) has the molecular formula C22H18F2N4O3 and a molecular weight of 424.41 g/mol. Its IUPAC name is 6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2-methyl-[1,2]oxazolo[4,5-b]pyridin-3-one.

Molecular Properties

Compound Name6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2-methyl-[1,2]oxazolo[4,5-b]pyridin-3-one
PubChem CID176733505
Molecular FormulaC22H18F2N4O3
Molecular Weight424.41 g/mol
Exact Mass424.13
IUPAC Name6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2-methyl-[1,2]oxazolo[4,5-b]pyridin-3-one
SMILESCn1oc2cc(-c3cccc4cc(C(=O)N5CCC(F)(F)CC5)cnc34)cnc2c1=O
InChIInChI=1S/C22H18F2N4O3/c1-27-21(30)19-17(31-27)10-14(11-26-19)16-4-2-3-13-9-15(12-25-18(13)16)20(29)28-7-5-22(23,24)6-8-28/h2-4,9-12H,5-8H2,1H3
InChIKeyINKIEYITVGIYMV-UHFFFAOYSA-N
XLogP3.61
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.41
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2-methyl-[1,2]oxazolo[4,5-b]pyridin-3-one with MolForge

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Related Compounds

6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2-methyl-1,2-benzoxazol-3-one
CID 154667127
(8-bromoquinolin-3-yl)-(4,4-difluoropiperidin-1-yl)methanone
CID 154667126
7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylpyrido[3,2-d]pyrimidin-4-one
CID 154667377
[3-(3,3-difluoropyrrolidine-1-carbonyl)quinolin-8-yl]boronic acid
CID 174048232
[8-(1-deuterio-2-methylspiro[1H-isoindole-3,1'-cyclopropane]-5-yl)quinolin-3-yl]-morpholin-4-ylmethanone
CID 175885076
(4,4-difluoropiperidin-1-yl)-(5-fluoro-6-methyl-3-pyridinyl)methanone
CID 168987947
6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2H-phthalazin-1-one
CID 154667306
8-(4,4-difluorocyclohexen-1-yl)quinoline-3-carboxylic acid;ethane
CID 169199637
(4,4-difluoropiperidin-1-yl)-[6-(3-ethylphenyl)-3-pyridinyl]methanone
CID 123839744
(4,4-difluoropiperidin-1-yl)-(2,6-dimethyl-4-pyridinyl)methanone
CID 77094058
(8-methoxyquinolin-3-yl)-pyrrolidin-1-ylmethanone
CID 110489868
[5-[3-(4,4-difluoropiperidine-1-carbonyl)-7-(trifluoromethyl)quinolin-6-yl]furan-2-yl]methylcarbamic acid
CID 126602378

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2-methyl-[1,2]oxazolo[4,5-b]pyridin-3-one?
The IUPAC name of 6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2-methyl-[1,2]oxazolo[4,5-b]pyridin-3-one (CID 176733505) is 6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2-methyl-[1,2]oxazolo[4,5-b]pyridin-3-one.
What is the SMILES notation for 6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2-methyl-[1,2]oxazolo[4,5-b]pyridin-3-one?
The canonical SMILES for 6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2-methyl-[1,2]oxazolo[4,5-b]pyridin-3-one is Cn1oc2cc(-c3cccc4cc(C(=O)N5CCC(F)(F)CC5)cnc34)cnc2c1=O.
What is the InChIKey of 6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2-methyl-[1,2]oxazolo[4,5-b]pyridin-3-one?
The InChIKey is INKIEYITVGIYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O3/c1-27-21(30)19-17(31-27)10-14(11-26-19)16-4-2-3-13-9-15(12-25-18(13)16)20(29)28-7-5-22(23,24)6-8-28/h2-4,9-12H,5-8H2,1H3.
What are the key properties of 6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2-methyl-[1,2]oxazolo[4,5-b]pyridin-3-one?
6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2-methyl-[1,2]oxazolo[4,5-b]pyridin-3-one has a molecular weight of 424.41 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2-methyl-[1,2]oxazolo[4,5-b]pyridin-3-one is sourced from PubChem (CID 176733505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).