(4R)-4-[(1R)-1-[7-[6-(difluoromethoxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one

C21H19F2N3O3 — CID 71241976

IUPAC(4R)-4-[(1R)-1-[7-[6-(difluoromethoxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(-c2ccc(OC(F)F)nc2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C21H19F2N3O3/c1-12(15-9-19(27)25-11-15)28-18-8-14(7-17-16(18)3-2-6-24-17)13-4-5-20(26-10-13)29-21(22)23/h2-8,10,12,15,21H,9,11H2,1H3,(H,25,27)/t12-,15-/m1/s1
InChIKeyKZPPWRYIROLNOJ-IUODEOHRSA-N
MW399.40 g/mol
LogP3.80
Rot. Bonds6

About (4R)-4-[(1R)-1-[7-[6-(difluoromethoxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-[7-[6-(difluoromethoxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 71241976) has the molecular formula C21H19F2N3O3 and a molecular weight of 399.40 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[7-[6-(difluoromethoxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[7-[6-(difluoromethoxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
PubChem CID71241976
Molecular FormulaC21H19F2N3O3
Molecular Weight399.40 g/mol
Exact Mass399.14
IUPAC Name(4R)-4-[(1R)-1-[7-[6-(difluoromethoxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(-c2ccc(OC(F)F)nc2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C21H19F2N3O3/c1-12(15-9-19(27)25-11-15)28-18-8-14(7-17-16(18)3-2-6-24-17)13-4-5-20(26-10-13)29-21(22)23/h2-8,10,12,15,21H,9,11H2,1H3,(H,25,27)/t12-,15-/m1/s1
InChIKeyKZPPWRYIROLNOJ-IUODEOHRSA-N
XLogP3.80
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4R)-4-[(1R)-1-[7-[6-(difluoromethoxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-4-[[7-[3-methoxy-4-[(3R)-oxan-3-yl]oxyphenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
CID 53341079
(4R)-4-[(1R)-1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-3-methoxypropyl]pyrrolidin-2-one
CID 58071876
(4R)-4-[(1R)-1-[[7-(3,5-difluoro-4-methoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
CID 58071894
(R)-4-((7-(3,4-dimethoxyphenyl)-1,6-naphthyridine-5-yloxy)methyl)pyrrolidine-2-one
CID 58071896
(4R)-4-[(1R)-1-[[7-(6-methoxy-3-pyridinyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
CID 58071908
(4R)-4-[(1R)-1-[[7-(3,5-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
CID 58071913
(4R)-4-[(1S)-1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]-2,2,2-trifluoroethyl]pyrrolidin-2-one
CID 58071915
(4R)-4-[(1R)-1-[(7-phenyl-1,6-naphthyridin-5-yl)oxy]ethyl]pyrrolidin-2-one
CID 58071919
(4R)-4-[(1R)-1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
CID 58071980
4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]-1,6-naphthyridin-7-yl]benzonitrile
CID 58071997
(4R)-4-[(1R)-1-[[7-(3-methoxy-4-propan-2-yloxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
CID 58072001
(4R)-4-[(1R)-1-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one
CID 58072004

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[7-[6-(difluoromethoxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[7-[6-(difluoromethoxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one (CID 71241976) is (4R)-4-[(1R)-1-[7-[6-(difluoromethoxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[7-[6-(difluoromethoxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[7-[6-(difluoromethoxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one is C[C@@H](Oc1cc(-c2ccc(OC(F)F)nc2)cc2ncccc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-1-[7-[6-(difluoromethoxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is KZPPWRYIROLNOJ-IUODEOHRSA-N. The full InChI is InChI=1S/C21H19F2N3O3/c1-12(15-9-19(27)25-11-15)28-18-8-14(7-17-16(18)3-2-6-24-17)13-4-5-20(26-10-13)29-21(22)23/h2-8,10,12,15,21H,9,11H2,1H3,(H,25,27)/t12-,15-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[7-[6-(difluoromethoxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[7-[6-(difluoromethoxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 399.40 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[7-[6-(difluoromethoxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 71241976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).