6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2-methyl-1,2-benzoxazol-3-one

C23H19F2N3O3 — CID 154667127

IUPAC6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2-methyl-1,2-benzoxazol-3-one
SMILESCn1oc2cc(-c3cccc4cc(C(=O)N5CCC(F)(F)CC5)cnc34)ccc2c1=O
InChIInChI=1S/C23H19F2N3O3/c1-27-22(30)18-6-5-14(12-19(18)31-27)17-4-2-3-15-11-16(13-26-20(15)17)21(29)28-9-7-23(24,25)8-10-28/h2-6,11-13H,7-10H2,1H3
InChIKeyBSYOEWXMEOJDBJ-UHFFFAOYSA-N
MW423.42 g/mol
LogP4.22
Rot. Bonds2

About 6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2-methyl-1,2-benzoxazol-3-one

6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2-methyl-1,2-benzoxazol-3-one (PubChem CID 154667127) has the molecular formula C23H19F2N3O3 and a molecular weight of 423.42 g/mol. Its IUPAC name is 6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2-methyl-1,2-benzoxazol-3-one.

Molecular Properties

Compound Name6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2-methyl-1,2-benzoxazol-3-one
PubChem CID154667127
Molecular FormulaC23H19F2N3O3
Molecular Weight423.42 g/mol
Exact Mass423.14
IUPAC Name6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2-methyl-1,2-benzoxazol-3-one
SMILESCn1oc2cc(-c3cccc4cc(C(=O)N5CCC(F)(F)CC5)cnc34)ccc2c1=O
InChIInChI=1S/C23H19F2N3O3/c1-27-22(30)18-6-5-14(12-19(18)31-27)17-4-2-3-15-11-16(13-26-20(15)17)21(29)28-9-7-23(24,25)8-10-28/h2-6,11-13H,7-10H2,1H3
InChIKeyBSYOEWXMEOJDBJ-UHFFFAOYSA-N
XLogP4.22
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2-methyl-[1,2]oxazolo[4,5-b]pyridin-3-one
CID 176733505
(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
[8-(1-deuterio-2-methylspiro[1H-isoindole-3,1'-cyclopropane]-5-yl)quinolin-3-yl]-morpholin-4-ylmethanone
CID 175885076
[3-(3,3-difluoropyrrolidine-1-carbonyl)quinolin-8-yl]boronic acid
CID 174048232
6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2H-phthalazin-1-one
CID 154667306
5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-ethyl-3H-isoindol-1-one
CID 154667161
(4,4-difluoropiperidin-1-yl)-[6-(3-ethylphenyl)-3-pyridinyl]methanone
CID 123839744
(4,4-difluoropiperidin-1-yl)-(5-fluoro-6-methyl-3-pyridinyl)methanone
CID 168987947
5'-[7-(4,4-difluoropiperidine-1-carbonyl)quinolin-4-yl]-2'-methylspiro[cyclopropane-1,3'-isoindole]-1'-one
CID 170175781
3-[7-(4,4-difluoropiperidine-1-carbonyl)naphthalen-2-yl]-6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one
CID 154667156
7-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3-methylquinazolin-4-one
CID 167390374

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2-methyl-1,2-benzoxazol-3-one?
The IUPAC name of 6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2-methyl-1,2-benzoxazol-3-one (CID 154667127) is 6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2-methyl-1,2-benzoxazol-3-one.
What is the SMILES notation for 6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2-methyl-1,2-benzoxazol-3-one?
The canonical SMILES for 6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2-methyl-1,2-benzoxazol-3-one is Cn1oc2cc(-c3cccc4cc(C(=O)N5CCC(F)(F)CC5)cnc34)ccc2c1=O.
What is the InChIKey of 6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2-methyl-1,2-benzoxazol-3-one?
The InChIKey is BSYOEWXMEOJDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O3/c1-27-22(30)18-6-5-14(12-19(18)31-27)17-4-2-3-15-11-16(13-26-20(15)17)21(29)28-9-7-23(24,25)8-10-28/h2-6,11-13H,7-10H2,1H3.
What are the key properties of 6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2-methyl-1,2-benzoxazol-3-one?
6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2-methyl-1,2-benzoxazol-3-one has a molecular weight of 423.42 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 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-benzoxazol-3-one is sourced from PubChem (CID 154667127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).