(4R)-4-[(1R)-1-[7-(1,5-dimethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one

C20H22N4O2 — CID 71241984

IUPAC(4R)-4-[(1R)-1-[7-(1,5-dimethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESCc1c(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cnn1C
InChIInChI=1S/C20H22N4O2/c1-12-17(11-23-24(12)3)14-7-18-16(5-4-6-21-18)19(8-14)26-13(2)15-9-20(25)22-10-15/h4-8,11,13,15H,9-10H2,1-3H3,(H,22,25)/t13-,15-/m1/s1
InChIKeyQUKCRTQLRUGASS-UKRRQHHQSA-N
MW350.42 g/mol
LogP2.85
Rot. Bonds4

About (4R)-4-[(1R)-1-[7-(1,5-dimethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-[7-(1,5-dimethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 71241984) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[7-(1,5-dimethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[7-(1,5-dimethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
PubChem CID71241984
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name(4R)-4-[(1R)-1-[7-(1,5-dimethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESCc1c(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cnn1C
InChIInChI=1S/C20H22N4O2/c1-12-17(11-23-24(12)3)14-7-18-16(5-4-6-21-18)19(8-14)26-13(2)15-9-20(25)22-10-15/h4-8,11,13,15H,9-10H2,1-3H3,(H,22,25)/t13-,15-/m1/s1
InChIKeyQUKCRTQLRUGASS-UKRRQHHQSA-N
XLogP2.85
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.85
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-(1,5-dimethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[7-(1,5-dimethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one (CID 71241984) is (4R)-4-[(1R)-1-[7-(1,5-dimethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[7-(1,5-dimethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[7-(1,5-dimethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one is Cc1c(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cnn1C.
What is the InChIKey of (4R)-4-[(1R)-1-[7-(1,5-dimethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is QUKCRTQLRUGASS-UKRRQHHQSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-12-17(11-23-24(12)3)14-7-18-16(5-4-6-21-18)19(8-14)26-13(2)15-9-20(25)22-10-15/h4-8,11,13,15H,9-10H2,1-3H3,(H,22,25)/t13-,15-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[7-(1,5-dimethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[7-(1,5-dimethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 350.42 g/mol, XLogP of 2.85, 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-(1,5-dimethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 71241984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).