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

C20H22N4O3 — CID 71238417

IUPAC(4R)-4-[(1R)-1-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(-c2cnn(CCO)c2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C20H22N4O3/c1-13(15-9-20(26)22-10-15)27-19-8-14(7-18-17(19)3-2-4-21-18)16-11-23-24(12-16)5-6-25/h2-4,7-8,11-13,15,25H,5-6,9-10H2,1H3,(H,22,26)/t13-,15-/m1/s1
InChIKeyAMTJDVNGOJVQTM-UKRRQHHQSA-N
MW366.42 g/mol
LogP1.99
Rot. Bonds6

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

(4R)-4-[(1R)-1-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 71238417) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
PubChem CID71238417
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name(4R)-4-[(1R)-1-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(-c2cnn(CCO)c2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C20H22N4O3/c1-13(15-9-20(26)22-10-15)27-19-8-14(7-18-17(19)3-2-4-21-18)16-11-23-24(12-16)5-6-25/h2-4,7-8,11-13,15,25H,5-6,9-10H2,1H3,(H,22,26)/t13-,15-/m1/s1
InChIKeyAMTJDVNGOJVQTM-UKRRQHHQSA-N
XLogP1.99
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one (CID 71238417) is (4R)-4-[(1R)-1-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one is C[C@@H](Oc1cc(-c2cnn(CCO)c2)cc2ncccc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-1-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is AMTJDVNGOJVQTM-UKRRQHHQSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-13(15-9-20(26)22-10-15)27-19-8-14(7-18-17(19)3-2-4-21-18)16-11-23-24(12-16)5-6-25/h2-4,7-8,11-13,15,25H,5-6,9-10H2,1H3,(H,22,26)/t13-,15-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 366.42 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 71238417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).