(7,8-difluoroquinolin-3-yl)-(2-methylpiperidin-1-yl)methanone

C16H16F2N2O — CID 166390335

IUPAC(7,8-difluoroquinolin-3-yl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1cnc2c(F)c(F)ccc2c1
InChIInChI=1S/C16H16F2N2O/c1-10-4-2-3-7-20(10)16(21)12-8-11-5-6-13(17)14(18)15(11)19-9-12/h5-6,8-10H,2-4,7H2,1H3
InChIKeyJDQSUTWVKBMIOH-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.53
Rot. Bonds1

About (7,8-difluoroquinolin-3-yl)-(2-methylpiperidin-1-yl)methanone

(7,8-difluoroquinolin-3-yl)-(2-methylpiperidin-1-yl)methanone (PubChem CID 166390335) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is (7,8-difluoroquinolin-3-yl)-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(7,8-difluoroquinolin-3-yl)-(2-methylpiperidin-1-yl)methanone
PubChem CID166390335
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name(7,8-difluoroquinolin-3-yl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1cnc2c(F)c(F)ccc2c1
InChIInChI=1S/C16H16F2N2O/c1-10-4-2-3-7-20(10)16(21)12-8-11-5-6-13(17)14(18)15(11)19-9-12/h5-6,8-10H,2-4,7H2,1H3
InChIKeyJDQSUTWVKBMIOH-UHFFFAOYSA-N
XLogP3.53
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[6-[(2S)-2-methylpiperidine-1-carbonyl]-3-pyridinyl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 1222984
(2-methylpyrrolidin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 110728179
(5-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 102568289
(6-methyl-3-pyridinyl)-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 10058742
(5-chloro-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 61146717
1H-indazol-5-yl-(2-methylpiperidin-1-yl)methanone
CID 110485432
(4-fluoro-3-piperidin-4-ylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 169488533
[6-(4-chloroanilino)-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone;hydrochloride
CID 23725274
(2,4-difluorophenyl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 2347956
(2,3-difluoro-5-methylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 593303
(6-amino-3-pyridinyl)-(2-methylpyrrolidin-1-yl)methanone
CID 62151940
(2-methylpiperidin-1-yl)-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 84574688

Frequently Asked Questions

What is the IUPAC name of (7,8-difluoroquinolin-3-yl)-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of (7,8-difluoroquinolin-3-yl)-(2-methylpiperidin-1-yl)methanone (CID 166390335) is (7,8-difluoroquinolin-3-yl)-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (7,8-difluoroquinolin-3-yl)-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for (7,8-difluoroquinolin-3-yl)-(2-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)c1cnc2c(F)c(F)ccc2c1.
What is the InChIKey of (7,8-difluoroquinolin-3-yl)-(2-methylpiperidin-1-yl)methanone?
The InChIKey is JDQSUTWVKBMIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-10-4-2-3-7-20(10)16(21)12-8-11-5-6-13(17)14(18)15(11)19-9-12/h5-6,8-10H,2-4,7H2,1H3.
What are the key properties of (7,8-difluoroquinolin-3-yl)-(2-methylpiperidin-1-yl)methanone?
(7,8-difluoroquinolin-3-yl)-(2-methylpiperidin-1-yl)methanone has a molecular weight of 290.31 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7,8-difluoroquinolin-3-yl)-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 166390335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).