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

C25H27N3O4 — CID 71241970

IUPAC(4R)-4-[(1R)-1-[7-[6-(oxan-4-yloxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(-c2ccc(OC3CCOCC3)nc2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C25H27N3O4/c1-16(19-13-24(29)27-15-19)31-23-12-18(11-22-21(23)3-2-8-26-22)17-4-5-25(28-14-17)32-20-6-9-30-10-7-20/h2-5,8,11-12,14,16,19-20H,6-7,9-10,13,15H2,1H3,(H,27,29)/t16-,19-/m1/s1
InChIKeyZPOXLBBXHIUCLB-VQIMIIECSA-N
MW433.51 g/mol
LogP3.76
Rot. Bonds6

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

(4R)-4-[(1R)-1-[7-[6-(oxan-4-yloxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 71241970) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[7-[6-(oxan-4-yloxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[7-[6-(oxan-4-yloxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
PubChem CID71241970
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC Name(4R)-4-[(1R)-1-[7-[6-(oxan-4-yloxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(-c2ccc(OC3CCOCC3)nc2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C25H27N3O4/c1-16(19-13-24(29)27-15-19)31-23-12-18(11-22-21(23)3-2-8-26-22)17-4-5-25(28-14-17)32-20-6-9-30-10-7-20/h2-5,8,11-12,14,16,19-20H,6-7,9-10,13,15H2,1H3,(H,27,29)/t16-,19-/m1/s1
InChIKeyZPOXLBBXHIUCLB-VQIMIIECSA-N
XLogP3.76
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.76
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-(oxan-4-yloxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[7-[6-(oxan-4-yloxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one (CID 71241970) is (4R)-4-[(1R)-1-[7-[6-(oxan-4-yloxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[7-[6-(oxan-4-yloxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[7-[6-(oxan-4-yloxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one is C[C@@H](Oc1cc(-c2ccc(OC3CCOCC3)nc2)cc2ncccc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-1-[7-[6-(oxan-4-yloxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is ZPOXLBBXHIUCLB-VQIMIIECSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-16(19-13-24(29)27-15-19)31-23-12-18(11-22-21(23)3-2-8-26-22)17-4-5-25(28-14-17)32-20-6-9-30-10-7-20/h2-5,8,11-12,14,16,19-20H,6-7,9-10,13,15H2,1H3,(H,27,29)/t16-,19-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[7-[6-(oxan-4-yloxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[7-[6-(oxan-4-yloxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 433.51 g/mol, XLogP of 3.76, 6 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-(oxan-4-yloxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 71241970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).