(4R)-4-[(1R)-1-[7-[6-(difluoromethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyrazol-1-yl]ethyl acetate

C43H43F2N7O6 — CID 159032055

IUPAC(4R)-4-[(1R)-1-[7-[6-(difluoromethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyrazol-1-yl]ethyl acetate
SMILESCC(=O)OCCn1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cn1.C[C@@H](Oc1cc(-c2ccc(C(F)F)nc2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C22H24N4O4.C21H19F2N3O2/c1-14(17-10-22(28)24-11-17)30-21-9-16(8-20-19(21)4-3-5-23-20)18-12-25-26(13-18)6-7-29-15(2)27;1-12(15-9-20(27)26-11-15)28-19-8-14(7-18-16(19)3-2-6-24-18)13-4-5-17(21(22)23)25-10-13/h3-5,8-9,12-14,17H,6-7,10-11H2,1-2H3,(H,24,28);2-8,10,12,15,21H,9,11H2,1H3,(H,26,27)/t14-,17-;12-,15-/m11/s1
InChIKeyJUZVALZXGQARML-LXVIXLQWSA-N
MW791.86 g/mol
LogP6.70
Rot. Bonds12

About (4R)-4-[(1R)-1-[7-[6-(difluoromethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyrazol-1-yl]ethyl acetate

(4R)-4-[(1R)-1-[7-[6-(difluoromethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyrazol-1-yl]ethyl acetate (PubChem CID 159032055) has the molecular formula C43H43F2N7O6 and a molecular weight of 791.86 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[7-[6-(difluoromethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyrazol-1-yl]ethyl acetate.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[7-[6-(difluoromethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyrazol-1-yl]ethyl acetate
PubChem CID159032055
Molecular FormulaC43H43F2N7O6
Molecular Weight791.86 g/mol
Exact Mass791.32
IUPAC Name(4R)-4-[(1R)-1-[7-[6-(difluoromethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyrazol-1-yl]ethyl acetate
SMILESCC(=O)OCCn1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cn1.C[C@@H](Oc1cc(-c2ccc(C(F)F)nc2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C22H24N4O4.C21H19F2N3O2/c1-14(17-10-22(28)24-11-17)30-21-9-16(8-20-19(21)4-3-5-23-20)18-12-25-26(13-18)6-7-29-15(2)27;1-12(15-9-20(27)26-11-15)28-19-8-14(7-18-16(19)3-2-6-24-18)13-4-5-17(21(22)23)25-10-13/h3-5,8-9,12-14,17H,6-7,10-11H2,1-2H3,(H,24,28);2-8,10,12,15,21H,9,11H2,1H3,(H,26,27)/t14-,17-;12-,15-/m11/s1
InChIKeyJUZVALZXGQARML-LXVIXLQWSA-N
XLogP6.70
TPSA159.45 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500791.86
LogP ≤ 56.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze (4R)-4-[(1R)-1-[7-[6-(difluoromethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyrazol-1-yl]ethyl acetate 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

(R)-4-{(R)-1-[7-(5-Trifluoromethyl-pyridin-2-yl)-quinolin-5-yloxy]-ethyl}-pyrrolidin-2-one
CID 71237760
(4R)-4-[(1R)-1-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71238417
2-[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyrazol-1-yl]ethyl acetate
CID 71238651
(4R)-4-[(1R)-1-(7-quinolin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one
CID 71241906
(4R)-4-[(1R)-1-[7-(1-methylindazol-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241911
(4R)-4-[(1R)-1-[7-[4-(morpholin-4-ylmethyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241912
(4R)-4-[(1R)-1-[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241918
(4R)-4-[(1R)-1-[7-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241975
(4R)-4-[(1R)-1-[7-[6-(difluoromethyl)pyridin-3-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241979
(4R)-4-[(1R)-1-[7-(1-ethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241980
(4R)-4-[(1R)-1-[7-(1-propan-2-ylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241988
(4R)-4-[(1R)-1-[7-(1-propylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241989

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[7-[6-(difluoromethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyrazol-1-yl]ethyl acetate?
The IUPAC name of (4R)-4-[(1R)-1-[7-[6-(difluoromethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyrazol-1-yl]ethyl acetate (CID 159032055) is (4R)-4-[(1R)-1-[7-[6-(difluoromethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyrazol-1-yl]ethyl acetate.
What is the SMILES notation for (4R)-4-[(1R)-1-[7-[6-(difluoromethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyrazol-1-yl]ethyl acetate?
The canonical SMILES for (4R)-4-[(1R)-1-[7-[6-(difluoromethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyrazol-1-yl]ethyl acetate is CC(=O)OCCn1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cn1.C[C@@H](Oc1cc(-c2ccc(C(F)F)nc2)cc2ncccc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-1-[7-[6-(difluoromethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyrazol-1-yl]ethyl acetate?
The InChIKey is JUZVALZXGQARML-LXVIXLQWSA-N. The full InChI is InChI=1S/C22H24N4O4.C21H19F2N3O2/c1-14(17-10-22(28)24-11-17)30-21-9-16(8-20-19(21)4-3-5-23-20)18-12-25-26(13-18)6-7-29-15(2)27;1-12(15-9-20(27)26-11-15)28-19-8-14(7-18-16(19)3-2-6-24-18)13-4-5-17(21(22)23)25-10-13/h3-5,8-9,12-14,17H,6-7,10-11H2,1-2H3,(H,24,28);2-8,10,12,15,21H,9,11H2,1H3,(H,26,27)/t14-,17-;12-,15-/m11/s1.
What are the key properties of (4R)-4-[(1R)-1-[7-[6-(difluoromethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyrazol-1-yl]ethyl acetate?
(4R)-4-[(1R)-1-[7-[6-(difluoromethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyrazol-1-yl]ethyl acetate has a molecular weight of 791.86 g/mol, XLogP of 6.70, 12 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[7-[6-(difluoromethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyrazol-1-yl]ethyl acetate is sourced from PubChem (CID 159032055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).