(8-bromoquinolin-3-yl)-(4,4-difluoropiperidin-1-yl)methanone

C15H13BrF2N2O — CID 154667126

IUPAC(8-bromoquinolin-3-yl)-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(c1cnc2c(Br)cccc2c1)N1CCC(F)(F)CC1
InChIInChI=1S/C15H13BrF2N2O/c16-12-3-1-2-10-8-11(9-19-13(10)12)14(21)20-6-4-15(17,18)5-7-20/h1-3,8-9H,4-7H2
InChIKeyNJVPUFNYXSBSEK-UHFFFAOYSA-N
MW355.18 g/mol
LogP3.87
Rot. Bonds1

About (8-bromoquinolin-3-yl)-(4,4-difluoropiperidin-1-yl)methanone

(8-bromoquinolin-3-yl)-(4,4-difluoropiperidin-1-yl)methanone (PubChem CID 154667126) has the molecular formula C15H13BrF2N2O and a molecular weight of 355.18 g/mol. Its IUPAC name is (8-bromoquinolin-3-yl)-(4,4-difluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name(8-bromoquinolin-3-yl)-(4,4-difluoropiperidin-1-yl)methanone
PubChem CID154667126
Molecular FormulaC15H13BrF2N2O
Molecular Weight355.18 g/mol
Exact Mass354.02
IUPAC Name(8-bromoquinolin-3-yl)-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(c1cnc2c(Br)cccc2c1)N1CCC(F)(F)CC1
InChIInChI=1S/C15H13BrF2N2O/c16-12-3-1-2-10-8-11(9-19-13(10)12)14(21)20-6-4-15(17,18)5-7-20/h1-3,8-9H,4-7H2
InChIKeyNJVPUFNYXSBSEK-UHFFFAOYSA-N
XLogP3.87
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(3,3-difluoropyrrolidine-1-carbonyl)quinolin-8-yl]boronic acid
CID 174048232
8-bromoquinoline-3-carboxylic acid;hydrate
CID 71710960
6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2-methyl-[1,2]oxazolo[4,5-b]pyridin-3-one
CID 176733505
6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2-methyl-1,2-benzoxazol-3-one
CID 154667127
(4,4-difluoropiperidin-1-yl)-(5-fluoro-6-methyl-3-pyridinyl)methanone
CID 168987947
(8-methoxyquinolin-3-yl)-pyrrolidin-1-ylmethanone
CID 110489868
[3-(2-bromophenyl)phenyl]-(3,3-difluoropyrrolidin-1-yl)methanone
CID 170459978
(4,4-difluoropiperidin-1-yl)-(2,6-dimethyl-4-pyridinyl)methanone
CID 77094058
[6-(5-bromoindazol-1-yl)-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone
CID 168987901
2-bromo-4-(4,4-difluoropiperidine-1-carbonyl)benzonitrile
CID 170172579
(6-bromo-5-chloronaphthalen-2-yl)-(4,4-difluoropiperidin-1-yl)methanone
CID 126602255
(4,4-difluoropiperidin-1-yl)-[6-(3-ethylphenyl)-3-pyridinyl]methanone
CID 123839744

Frequently Asked Questions

What is the IUPAC name of (8-bromoquinolin-3-yl)-(4,4-difluoropiperidin-1-yl)methanone?
The IUPAC name of (8-bromoquinolin-3-yl)-(4,4-difluoropiperidin-1-yl)methanone (CID 154667126) is (8-bromoquinolin-3-yl)-(4,4-difluoropiperidin-1-yl)methanone.
What is the SMILES notation for (8-bromoquinolin-3-yl)-(4,4-difluoropiperidin-1-yl)methanone?
The canonical SMILES for (8-bromoquinolin-3-yl)-(4,4-difluoropiperidin-1-yl)methanone is O=C(c1cnc2c(Br)cccc2c1)N1CCC(F)(F)CC1.
What is the InChIKey of (8-bromoquinolin-3-yl)-(4,4-difluoropiperidin-1-yl)methanone?
The InChIKey is NJVPUFNYXSBSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2N2O/c16-12-3-1-2-10-8-11(9-19-13(10)12)14(21)20-6-4-15(17,18)5-7-20/h1-3,8-9H,4-7H2.
What are the key properties of (8-bromoquinolin-3-yl)-(4,4-difluoropiperidin-1-yl)methanone?
(8-bromoquinolin-3-yl)-(4,4-difluoropiperidin-1-yl)methanone has a molecular weight of 355.18 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-bromoquinolin-3-yl)-(4,4-difluoropiperidin-1-yl)methanone is sourced from PubChem (CID 154667126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).