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

C19H20N4O2 — CID 71241918

IUPAC(4R)-4-[(1R)-1-[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(-c2cnn(C)c2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C19H20N4O2/c1-12(14-8-19(24)21-9-14)25-18-7-13(15-10-22-23(2)11-15)6-17-16(18)4-3-5-20-17/h3-7,10-12,14H,8-9H2,1-2H3,(H,21,24)/t12-,14-/m1/s1
InChIKeyYBQFOROGKMKGHJ-TZMCWYRMSA-N
MW336.40 g/mol
LogP2.54
Rot. Bonds4

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

(4R)-4-[(1R)-1-[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 71241918) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
PubChem CID71241918
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name(4R)-4-[(1R)-1-[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(-c2cnn(C)c2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C19H20N4O2/c1-12(14-8-19(24)21-9-14)25-18-7-13(15-10-22-23(2)11-15)6-17-16(18)4-3-5-20-17/h3-7,10-12,14H,8-9H2,1-2H3,(H,21,24)/t12-,14-/m1/s1
InChIKeyYBQFOROGKMKGHJ-TZMCWYRMSA-N
XLogP2.54
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.54
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-methylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one (CID 71241918) is (4R)-4-[(1R)-1-[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one is C[C@@H](Oc1cc(-c2cnn(C)c2)cc2ncccc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-1-[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is YBQFOROGKMKGHJ-TZMCWYRMSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12(14-8-19(24)21-9-14)25-18-7-13(15-10-22-23(2)11-15)6-17-16(18)4-3-5-20-17/h3-7,10-12,14H,8-9H2,1-2H3,(H,21,24)/t12-,14-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 336.40 g/mol, XLogP of 2.54, 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-methylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 71241918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).