(4R)-4-[(1R)-1-[7-(6-morpholin-4-yl-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one

C24H26N4O3 — CID 71241921

IUPAC(4R)-4-[(1R)-1-[7-(6-morpholin-4-yl-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(-c2ccc(N3CCOCC3)nc2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C24H26N4O3/c1-16(19-13-24(29)27-15-19)31-22-12-18(11-21-20(22)3-2-6-25-21)17-4-5-23(26-14-17)28-7-9-30-10-8-28/h2-6,11-12,14,16,19H,7-10,13,15H2,1H3,(H,27,29)/t16-,19-/m1/s1
InChIKeyPBAIGXUJFDIADY-VQIMIIECSA-N
MW418.50 g/mol
LogP3.04
Rot. Bonds5

About (4R)-4-[(1R)-1-[7-(6-morpholin-4-yl-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-[7-(6-morpholin-4-yl-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 71241921) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[7-(6-morpholin-4-yl-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[7-(6-morpholin-4-yl-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
PubChem CID71241921
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name(4R)-4-[(1R)-1-[7-(6-morpholin-4-yl-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(-c2ccc(N3CCOCC3)nc2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C24H26N4O3/c1-16(19-13-24(29)27-15-19)31-22-12-18(11-21-20(22)3-2-6-25-21)17-4-5-23(26-14-17)28-7-9-30-10-8-28/h2-6,11-12,14,16,19H,7-10,13,15H2,1H3,(H,27,29)/t16-,19-/m1/s1
InChIKeyPBAIGXUJFDIADY-VQIMIIECSA-N
XLogP3.04
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[7-(6-morpholin-4-yl-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[7-(6-morpholin-4-yl-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one (CID 71241921) is (4R)-4-[(1R)-1-[7-(6-morpholin-4-yl-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[7-(6-morpholin-4-yl-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[7-(6-morpholin-4-yl-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one is C[C@@H](Oc1cc(-c2ccc(N3CCOCC3)nc2)cc2ncccc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-1-[7-(6-morpholin-4-yl-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is PBAIGXUJFDIADY-VQIMIIECSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-16(19-13-24(29)27-15-19)31-22-12-18(11-21-20(22)3-2-6-25-21)17-4-5-23(26-14-17)28-7-9-30-10-8-28/h2-6,11-12,14,16,19H,7-10,13,15H2,1H3,(H,27,29)/t16-,19-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[7-(6-morpholin-4-yl-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[7-(6-morpholin-4-yl-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 418.50 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[7-(6-morpholin-4-yl-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 71241921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).