(7-fluoro-2-methylquinolin-4-yl)-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone

C21H26FN3O — CID 96574367

IUPAC(7-fluoro-2-methylquinolin-4-yl)-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCC[C@@H]2CN2CCCC2)c2ccc(F)cc2n1
InChIInChI=1S/C21H26FN3O/c1-15-12-19(18-8-7-16(22)13-20(18)23-15)21(26)25-11-3-2-6-17(25)14-24-9-4-5-10-24/h7-8,12-13,17H,2-6,9-11,14H2,1H3/t17-/m1/s1
InChIKeyVLQIPPLRZSMMPH-QGZVFWFLSA-N
MW355.46 g/mol
LogP3.77
Rot. Bonds3

About (7-fluoro-2-methylquinolin-4-yl)-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone

(7-fluoro-2-methylquinolin-4-yl)-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 96574367) has the molecular formula C21H26FN3O and a molecular weight of 355.46 g/mol. Its IUPAC name is (7-fluoro-2-methylquinolin-4-yl)-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(7-fluoro-2-methylquinolin-4-yl)-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID96574367
Molecular FormulaC21H26FN3O
Molecular Weight355.46 g/mol
Exact Mass355.21
IUPAC Name(7-fluoro-2-methylquinolin-4-yl)-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCC[C@@H]2CN2CCCC2)c2ccc(F)cc2n1
InChIInChI=1S/C21H26FN3O/c1-15-12-19(18-8-7-16(22)13-20(18)23-15)21(26)25-11-3-2-6-17(25)14-24-9-4-5-10-24/h7-8,12-13,17H,2-6,9-11,14H2,1H3/t17-/m1/s1
InChIKeyVLQIPPLRZSMMPH-QGZVFWFLSA-N
XLogP3.77
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (7-fluoro-2-methylquinolin-4-yl)-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(7-fluoro-2-methylquinolin-4-yl)-[2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone
CID 70748469
[(2R)-2-(aminomethyl)piperidin-1-yl]-(7-chloro-2-methylquinolin-4-yl)methanone
CID 97435158
(7-fluoro-2-methylquinolin-4-yl)-[2-(4-fluorophenyl)azetidin-1-yl]methanone
CID 70738729
(3R,6S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)-6-methylpiperidine-3-carboxamide
CID 95274650
(3S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)pyrrolidine-3-carboxamide
CID 94512731
3-[(2R)-1-(7-fluoro-2-methylquinoline-3-carbonyl)piperidin-2-yl]propanoic acid
CID 124697534
[4-(7-fluoro-2-methylquinoline-4-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 94091057
[(3aS,6aS)-3a-(hydroxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone
CID 70732609
[2-(aminomethyl)piperidin-1-yl]-(6-chloro-2-methylquinolin-4-yl)methanone
CID 72838827
[(2R)-2-(aminomethyl)piperidin-1-yl]-(6-chloro-2-methylquinolin-4-yl)methanone
CID 97433787
azepan-1-yl-(6-fluoro-2-methylquinolin-4-yl)methanone
CID 4732287
[2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 81485630

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-2-methylquinolin-4-yl)-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (7-fluoro-2-methylquinolin-4-yl)-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone (CID 96574367) is (7-fluoro-2-methylquinolin-4-yl)-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (7-fluoro-2-methylquinolin-4-yl)-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (7-fluoro-2-methylquinolin-4-yl)-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone is Cc1cc(C(=O)N2CCCC[C@@H]2CN2CCCC2)c2ccc(F)cc2n1.
What is the InChIKey of (7-fluoro-2-methylquinolin-4-yl)-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is VLQIPPLRZSMMPH-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H26FN3O/c1-15-12-19(18-8-7-16(22)13-20(18)23-15)21(26)25-11-3-2-6-17(25)14-24-9-4-5-10-24/h7-8,12-13,17H,2-6,9-11,14H2,1H3/t17-/m1/s1.
What are the key properties of (7-fluoro-2-methylquinolin-4-yl)-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
(7-fluoro-2-methylquinolin-4-yl)-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 355.46 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-2-methylquinolin-4-yl)-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 96574367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).