(7-fluoro-2-methylquinolin-4-yl)-[(3R)-3-methylpiperazin-1-yl]methanone

C16H18FN3O — CID 70740511

IUPAC(7-fluoro-2-methylquinolin-4-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN[C@H](C)C2)c2ccc(F)cc2n1
InChIInChI=1S/C16H18FN3O/c1-10-7-14(13-4-3-12(17)8-15(13)19-10)16(21)20-6-5-18-11(2)9-20/h3-4,7-8,11,18H,5-6,9H2,1-2H3/t11-/m1/s1
InChIKeyTUWSIECJUHMZJP-LLVKDONJSA-N
MW287.34 g/mol
LogP2.12
Rot. Bonds1

About (7-fluoro-2-methylquinolin-4-yl)-[(3R)-3-methylpiperazin-1-yl]methanone

(7-fluoro-2-methylquinolin-4-yl)-[(3R)-3-methylpiperazin-1-yl]methanone (PubChem CID 70740511) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is (7-fluoro-2-methylquinolin-4-yl)-[(3R)-3-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(7-fluoro-2-methylquinolin-4-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
PubChem CID70740511
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name(7-fluoro-2-methylquinolin-4-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN[C@H](C)C2)c2ccc(F)cc2n1
InChIInChI=1S/C16H18FN3O/c1-10-7-14(13-4-3-12(17)8-15(13)19-10)16(21)20-6-5-18-11(2)9-20/h3-4,7-8,11,18H,5-6,9H2,1-2H3/t11-/m1/s1
InChIKeyTUWSIECJUHMZJP-LLVKDONJSA-N
XLogP2.12
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)pyrrolidine-3-carboxamide
CID 94512731
(7-fluoro-2-methylquinolin-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 55604624
(5-fluoro-2-methylphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119579929
(2-chloro-4-fluorophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428671
4-[(3S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-3-yl]benzoic acid
CID 97204575
(7-fluoro-2-methylquinolin-4-yl)-[2-(4-fluorophenyl)azetidin-1-yl]methanone
CID 70738729
(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 124692449
[4-(adamantane-1-carbonyl)piperazin-1-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone
CID 46686968
[4-(7-fluoro-2-methylquinoline-4-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 94091057
(3,4-dichlorophenyl)-[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]methanone
CID 55956901
[(3R)-3-[3-(dimethylamino)propyl-methylamino]piperidin-1-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone
CID 95730064
4-[(3R)-1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-3-yl]cyclohexa-1,3-diene-1-carboxylic acid
CID 167105970

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-2-methylquinolin-4-yl)-[(3R)-3-methylpiperazin-1-yl]methanone?
The IUPAC name of (7-fluoro-2-methylquinolin-4-yl)-[(3R)-3-methylpiperazin-1-yl]methanone (CID 70740511) is (7-fluoro-2-methylquinolin-4-yl)-[(3R)-3-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (7-fluoro-2-methylquinolin-4-yl)-[(3R)-3-methylpiperazin-1-yl]methanone?
The canonical SMILES for (7-fluoro-2-methylquinolin-4-yl)-[(3R)-3-methylpiperazin-1-yl]methanone is Cc1cc(C(=O)N2CCN[C@H](C)C2)c2ccc(F)cc2n1.
What is the InChIKey of (7-fluoro-2-methylquinolin-4-yl)-[(3R)-3-methylpiperazin-1-yl]methanone?
The InChIKey is TUWSIECJUHMZJP-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-10-7-14(13-4-3-12(17)8-15(13)19-10)16(21)20-6-5-18-11(2)9-20/h3-4,7-8,11,18H,5-6,9H2,1-2H3/t11-/m1/s1.
What are the key properties of (7-fluoro-2-methylquinolin-4-yl)-[(3R)-3-methylpiperazin-1-yl]methanone?
(7-fluoro-2-methylquinolin-4-yl)-[(3R)-3-methylpiperazin-1-yl]methanone has a molecular weight of 287.34 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-2-methylquinolin-4-yl)-[(3R)-3-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 70740511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).