(7-fluoro-2-methylquinolin-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone

C20H19FN4O — CID 120728867

IUPAC(7-fluoro-2-methylquinolin-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
SMILESCc1nc2cc(F)ccc2cc1C(=O)N1CCNCC1c1cccnc1
InChIInChI=1S/C20H19FN4O/c1-13-17(9-14-4-5-16(21)10-18(14)24-13)20(26)25-8-7-23-12-19(25)15-3-2-6-22-11-15/h2-6,9-11,19,23H,7-8,12H2,1H3
InChIKeyUQYLANNJSCXFEP-UHFFFAOYSA-N
MW350.40 g/mol
LogP2.86
Rot. Bonds2

About (7-fluoro-2-methylquinolin-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone

(7-fluoro-2-methylquinolin-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone (PubChem CID 120728867) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is (7-fluoro-2-methylquinolin-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(7-fluoro-2-methylquinolin-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
PubChem CID120728867
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name(7-fluoro-2-methylquinolin-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
SMILESCc1nc2cc(F)ccc2cc1C(=O)N1CCNCC1c1cccnc1
InChIInChI=1S/C20H19FN4O/c1-13-17(9-14-4-5-16(21)10-18(14)24-13)20(26)25-8-7-23-12-19(25)15-3-2-6-22-11-15/h2-6,9-11,19,23H,7-8,12H2,1H3
InChIKeyUQYLANNJSCXFEP-UHFFFAOYSA-N
XLogP2.86
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-difluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729758
(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120730877
(2-cyclopropyl-6-fluoroquinolin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120730275
(2,7-dimethylquinolin-3-yl)-[2-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone
CID 126767718
(4-methylquinolin-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120731327
(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730112
(3-chloro-4-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730350
(3-fluoro-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731159
N-[4-fluoro-3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]acetamide
CID 120731504
(6-methoxyquinolin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729856
(6-methoxyquinolin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120729855
1-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyridin-2-one
CID 120729469

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-2-methylquinolin-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The IUPAC name of (7-fluoro-2-methylquinolin-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone (CID 120728867) is (7-fluoro-2-methylquinolin-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (7-fluoro-2-methylquinolin-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The canonical SMILES for (7-fluoro-2-methylquinolin-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone is Cc1nc2cc(F)ccc2cc1C(=O)N1CCNCC1c1cccnc1.
What is the InChIKey of (7-fluoro-2-methylquinolin-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The InChIKey is UQYLANNJSCXFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-13-17(9-14-4-5-16(21)10-18(14)24-13)20(26)25-8-7-23-12-19(25)15-3-2-6-22-11-15/h2-6,9-11,19,23H,7-8,12H2,1H3.
What are the key properties of (7-fluoro-2-methylquinolin-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
(7-fluoro-2-methylquinolin-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone has a molecular weight of 350.40 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-2-methylquinolin-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 120728867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).