(6-fluoro-2-methylquinolin-3-yl)-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone

C22H21FN2O2 — CID 92627940

IUPAC(6-fluoro-2-methylquinolin-3-yl)-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1cccc([C@H]2CCCN2C(=O)c2cc3cc(F)ccc3nc2C)c1
InChIInChI=1S/C22H21FN2O2/c1-14-19(13-16-11-17(23)8-9-20(16)24-14)22(26)25-10-4-7-21(25)15-5-3-6-18(12-15)27-2/h3,5-6,8-9,11-13,21H,4,7,10H2,1-2H3/t21-/m1/s1
InChIKeyQAGMCBGMOJVPCH-OAQYLSRUSA-N
MW364.42 g/mol
LogP4.67
Rot. Bonds3

About (6-fluoro-2-methylquinolin-3-yl)-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone

(6-fluoro-2-methylquinolin-3-yl)-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone (PubChem CID 92627940) has the molecular formula C22H21FN2O2 and a molecular weight of 364.42 g/mol. Its IUPAC name is (6-fluoro-2-methylquinolin-3-yl)-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(6-fluoro-2-methylquinolin-3-yl)-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
PubChem CID92627940
Molecular FormulaC22H21FN2O2
Molecular Weight364.42 g/mol
Exact Mass364.16
IUPAC Name(6-fluoro-2-methylquinolin-3-yl)-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1cccc([C@H]2CCCN2C(=O)c2cc3cc(F)ccc3nc2C)c1
InChIInChI=1S/C22H21FN2O2/c1-14-19(13-16-11-17(23)8-9-20(16)24-14)22(26)25-10-4-7-21(25)15-5-3-6-18(12-15)27-2/h3,5-6,8-9,11-13,21H,4,7,10H2,1-2H3/t21-/m1/s1
InChIKeyQAGMCBGMOJVPCH-OAQYLSRUSA-N
XLogP4.67
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(7-fluoro-2-methylquinolin-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 18127031
(2-methoxyphenyl)-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 78834014
7-fluoro-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one
CID 70756728
(2-iodophenyl)-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 51929591
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 42934876
(7-fluoro-2-methylquinolin-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 56825019
[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 46472002
[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanone
CID 92614119
(6-methoxy-2-methylquinolin-3-yl)-[2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]methanone
CID 110218897
(2,6-dimethylquinolin-3-yl)-(2-pyridin-4-ylazepan-1-yl)methanone
CID 55764274
methyl 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]benzoate
CID 51318465

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-2-methylquinolin-3-yl)-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (6-fluoro-2-methylquinolin-3-yl)-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone (CID 92627940) is (6-fluoro-2-methylquinolin-3-yl)-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (6-fluoro-2-methylquinolin-3-yl)-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (6-fluoro-2-methylquinolin-3-yl)-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone is COc1cccc([C@H]2CCCN2C(=O)c2cc3cc(F)ccc3nc2C)c1.
What is the InChIKey of (6-fluoro-2-methylquinolin-3-yl)-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is QAGMCBGMOJVPCH-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H21FN2O2/c1-14-19(13-16-11-17(23)8-9-20(16)24-14)22(26)25-10-4-7-21(25)15-5-3-6-18(12-15)27-2/h3,5-6,8-9,11-13,21H,4,7,10H2,1-2H3/t21-/m1/s1.
What are the key properties of (6-fluoro-2-methylquinolin-3-yl)-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone?
(6-fluoro-2-methylquinolin-3-yl)-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 364.42 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-2-methylquinolin-3-yl)-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 92627940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).