(3-pyridin-4-yloxypyrrolidin-1-yl)-(4-quinolin-8-ylphenyl)methanone

C25H21N3O2 — CID 166194792

IUPAC(3-pyridin-4-yloxypyrrolidin-1-yl)-(4-quinolin-8-ylphenyl)methanone
SMILESO=C(c1ccc(-c2cccc3cccnc23)cc1)N1CCC(Oc2ccncc2)C1
InChIInChI=1S/C25H21N3O2/c29-25(28-16-12-22(17-28)30-21-10-14-26-15-11-21)20-8-6-18(7-9-20)23-5-1-3-19-4-2-13-27-24(19)23/h1-11,13-15,22H,12,16-17H2
InChIKeyPNZBRFDBNNKYHW-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.59
Rot. Bonds4

About (3-pyridin-4-yloxypyrrolidin-1-yl)-(4-quinolin-8-ylphenyl)methanone

(3-pyridin-4-yloxypyrrolidin-1-yl)-(4-quinolin-8-ylphenyl)methanone (PubChem CID 166194792) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is (3-pyridin-4-yloxypyrrolidin-1-yl)-(4-quinolin-8-ylphenyl)methanone.

Molecular Properties

Compound Name(3-pyridin-4-yloxypyrrolidin-1-yl)-(4-quinolin-8-ylphenyl)methanone
PubChem CID166194792
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC Name(3-pyridin-4-yloxypyrrolidin-1-yl)-(4-quinolin-8-ylphenyl)methanone
SMILESO=C(c1ccc(-c2cccc3cccnc23)cc1)N1CCC(Oc2ccncc2)C1
InChIInChI=1S/C25H21N3O2/c29-25(28-16-12-22(17-28)30-21-10-14-26-15-11-21)20-8-6-18(7-9-20)23-5-1-3-19-4-2-13-27-24(19)23/h1-11,13-15,22H,12,16-17H2
InChIKeyPNZBRFDBNNKYHW-UHFFFAOYSA-N
XLogP4.59
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-pyridin-4-yloxypyrrolidin-1-yl)-(4-quinolin-8-ylphenyl)methanone?
The IUPAC name of (3-pyridin-4-yloxypyrrolidin-1-yl)-(4-quinolin-8-ylphenyl)methanone (CID 166194792) is (3-pyridin-4-yloxypyrrolidin-1-yl)-(4-quinolin-8-ylphenyl)methanone.
What is the SMILES notation for (3-pyridin-4-yloxypyrrolidin-1-yl)-(4-quinolin-8-ylphenyl)methanone?
The canonical SMILES for (3-pyridin-4-yloxypyrrolidin-1-yl)-(4-quinolin-8-ylphenyl)methanone is O=C(c1ccc(-c2cccc3cccnc23)cc1)N1CCC(Oc2ccncc2)C1.
What is the InChIKey of (3-pyridin-4-yloxypyrrolidin-1-yl)-(4-quinolin-8-ylphenyl)methanone?
The InChIKey is PNZBRFDBNNKYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2/c29-25(28-16-12-22(17-28)30-21-10-14-26-15-11-21)20-8-6-18(7-9-20)23-5-1-3-19-4-2-13-27-24(19)23/h1-11,13-15,22H,12,16-17H2.
What are the key properties of (3-pyridin-4-yloxypyrrolidin-1-yl)-(4-quinolin-8-ylphenyl)methanone?
(3-pyridin-4-yloxypyrrolidin-1-yl)-(4-quinolin-8-ylphenyl)methanone has a molecular weight of 395.46 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyridin-4-yloxypyrrolidin-1-yl)-(4-quinolin-8-ylphenyl)methanone is sourced from PubChem (CID 166194792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).