(4R)-4-[(7-fluoro-4-methylquinolin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one

C18H21FN2O2 — CID 124750402

IUPAC(4R)-4-[(7-fluoro-4-methylquinolin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1C[C@H](Cc2cc(C)c3ccc(F)cc3n2)CC1=O
InChIInChI=1S/C18H21FN2O2/c1-12-7-15(20-17-10-14(19)3-4-16(12)17)8-13-9-18(22)21(11-13)5-6-23-2/h3-4,7,10,13H,5-6,8-9,11H2,1-2H3/t13-/m1/s1
InChIKeyCSDNCBBZHXRDHW-CYBMUJFWSA-N
MW316.38 g/mol
LogP2.72
Rot. Bonds5

About (4R)-4-[(7-fluoro-4-methylquinolin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one

(4R)-4-[(7-fluoro-4-methylquinolin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one (PubChem CID 124750402) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is (4R)-4-[(7-fluoro-4-methylquinolin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(7-fluoro-4-methylquinolin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
PubChem CID124750402
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name(4R)-4-[(7-fluoro-4-methylquinolin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1C[C@H](Cc2cc(C)c3ccc(F)cc3n2)CC1=O
InChIInChI=1S/C18H21FN2O2/c1-12-7-15(20-17-10-14(19)3-4-16(12)17)8-13-9-18(22)21(11-13)5-6-23-2/h3-4,7,10,13H,5-6,8-9,11H2,1-2H3/t13-/m1/s1
InChIKeyCSDNCBBZHXRDHW-CYBMUJFWSA-N
XLogP2.72
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyethyl)-4-[(4-methyl-6-methylsulfanylquinolin-2-yl)methyl]pyrrolidin-2-one
CID 91841429
1-(2-methoxyethyl)-4-[(8-methoxy-4-methylquinolin-2-yl)methyl]pyrrolidin-2-one
CID 91829477
(4S)-1-(2-methoxyethyl)-4-[(4-methyl-2-pyridinyl)methyl]pyrrolidin-2-one
CID 124757294
4-[(4,6-dimethoxypyrimidin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 91831533
1-(2-methoxyethyl)-4-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-one
CID 91782207
(4R)-4-[(6-aminopyrimidin-4-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 124755869
4-[(3,5-dimethylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 91828980
(4R)-4-[(5-amino-2-pyridinyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 125175328
1-(2-methoxyethyl)-4-[(4-methylsulfanylphenyl)methyl]pyrrolidin-2-one
CID 91841931
6-[[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-2H-isoquinolin-1-one
CID 91831672
1-(2-methoxyethyl)-4-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]pyrrolidin-2-one
CID 91843390
(4S)-1-(2-methoxyethyl)-4-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]pyrrolidin-2-one
CID 124849414

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(7-fluoro-4-methylquinolin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(7-fluoro-4-methylquinolin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one (CID 124750402) is (4R)-4-[(7-fluoro-4-methylquinolin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(7-fluoro-4-methylquinolin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(7-fluoro-4-methylquinolin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one is COCCN1C[C@H](Cc2cc(C)c3ccc(F)cc3n2)CC1=O.
What is the InChIKey of (4R)-4-[(7-fluoro-4-methylquinolin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The InChIKey is CSDNCBBZHXRDHW-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-12-7-15(20-17-10-14(19)3-4-16(12)17)8-13-9-18(22)21(11-13)5-6-23-2/h3-4,7,10,13H,5-6,8-9,11H2,1-2H3/t13-/m1/s1.
What are the key properties of (4R)-4-[(7-fluoro-4-methylquinolin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
(4R)-4-[(7-fluoro-4-methylquinolin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one has a molecular weight of 316.38 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(7-fluoro-4-methylquinolin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 124750402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).