3-(4-quinolin-8-yloxyanilino)pyrrolidin-2-one

C19H17N3O2 — CID 71968153

IUPAC3-(4-quinolin-8-yloxyanilino)pyrrolidin-2-one
SMILESO=C1NCCC1Nc1ccc(Oc2cccc3cccnc23)cc1
InChIInChI=1S/C19H17N3O2/c23-19-16(10-12-21-19)22-14-6-8-15(9-7-14)24-17-5-1-3-13-4-2-11-20-18(13)17/h1-9,11,16,22H,10,12H2,(H,21,23)
InChIKeyGFXGUQCHBVFFMI-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.33
Rot. Bonds4

About 3-(4-quinolin-8-yloxyanilino)pyrrolidin-2-one

3-(4-quinolin-8-yloxyanilino)pyrrolidin-2-one (PubChem CID 71968153) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 3-(4-quinolin-8-yloxyanilino)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(4-quinolin-8-yloxyanilino)pyrrolidin-2-one
PubChem CID71968153
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name3-(4-quinolin-8-yloxyanilino)pyrrolidin-2-one
SMILESO=C1NCCC1Nc1ccc(Oc2cccc3cccnc23)cc1
InChIInChI=1S/C19H17N3O2/c23-19-16(10-12-21-19)22-14-6-8-15(9-7-14)24-17-5-1-3-13-4-2-11-20-18(13)17/h1-9,11,16,22H,10,12H2,(H,21,23)
InChIKeyGFXGUQCHBVFFMI-UHFFFAOYSA-N
XLogP3.33
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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(2S)-2-methylsulfonyl-N-(4-quinolin-8-yloxyphenyl)propanamide
CID 52519697
3-(quinolin-8-ylmethylamino)piperidin-2-one
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N-prop-2-enyl-2-(4-quinolin-8-yloxyanilino)propanamide
CID 60601662
N-(4-morpholin-4-ylphenyl)-2-(4-quinolin-8-yloxyanilino)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(4-quinolin-8-yloxyanilino)pyrrolidin-2-one?
The IUPAC name of 3-(4-quinolin-8-yloxyanilino)pyrrolidin-2-one (CID 71968153) is 3-(4-quinolin-8-yloxyanilino)pyrrolidin-2-one.
What is the SMILES notation for 3-(4-quinolin-8-yloxyanilino)pyrrolidin-2-one?
The canonical SMILES for 3-(4-quinolin-8-yloxyanilino)pyrrolidin-2-one is O=C1NCCC1Nc1ccc(Oc2cccc3cccnc23)cc1.
What is the InChIKey of 3-(4-quinolin-8-yloxyanilino)pyrrolidin-2-one?
The InChIKey is GFXGUQCHBVFFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c23-19-16(10-12-21-19)22-14-6-8-15(9-7-14)24-17-5-1-3-13-4-2-11-20-18(13)17/h1-9,11,16,22H,10,12H2,(H,21,23).
What are the key properties of 3-(4-quinolin-8-yloxyanilino)pyrrolidin-2-one?
3-(4-quinolin-8-yloxyanilino)pyrrolidin-2-one has a molecular weight of 319.36 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-quinolin-8-yloxyanilino)pyrrolidin-2-one is sourced from PubChem (CID 71968153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).