(4R)-4-[(1R)-1-[7-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one

C23H23N3O3 — CID 71241975

IUPAC(4R)-4-[(1R)-1-[7-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(-c2cnc3c(c2)CCCO3)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C23H23N3O3/c1-14(17-11-22(27)25-12-17)29-21-10-16(9-20-19(21)5-2-6-24-20)18-8-15-4-3-7-28-23(15)26-13-18/h2,5-6,8-10,13-14,17H,3-4,7,11-12H2,1H3,(H,25,27)/t14-,17-/m1/s1
InChIKeyZZCYPTFBKOKJFY-RHSMWYFYSA-N
MW389.46 g/mol
LogP3.53
Rot. Bonds4

About (4R)-4-[(1R)-1-[7-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-[7-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 71241975) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[7-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[7-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
PubChem CID71241975
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name(4R)-4-[(1R)-1-[7-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(-c2cnc3c(c2)CCCO3)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C23H23N3O3/c1-14(17-11-22(27)25-12-17)29-21-10-16(9-20-19(21)5-2-6-24-20)18-8-15-4-3-7-28-23(15)26-13-18/h2,5-6,8-10,13-14,17H,3-4,7,11-12H2,1H3,(H,25,27)/t14-,17-/m1/s1
InChIKeyZZCYPTFBKOKJFY-RHSMWYFYSA-N
XLogP3.53
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[7-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (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) is (4R)-4-[(1R)-1-[7-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[7-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[7-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one is C[C@@H](Oc1cc(-c2cnc3c(c2)CCCO3)cc2ncccc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-1-[7-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is ZZCYPTFBKOKJFY-RHSMWYFYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-14(17-11-22(27)25-12-17)29-21-10-16(9-20-19(21)5-2-6-24-20)18-8-15-4-3-7-28-23(15)26-13-18/h2,5-6,8-10,13-14,17H,3-4,7,11-12H2,1H3,(H,25,27)/t14-,17-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[7-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[7-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 389.46 g/mol, XLogP of 3.53, 4 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-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 71241975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).