7-ethynyl-8-[(3R)-3-pyrazol-1-ylpyrrolidin-1-yl]-5H-quinolin-6-one

C18H16N4O — CID 164956910

IUPAC7-ethynyl-8-[(3R)-3-pyrazol-1-ylpyrrolidin-1-yl]-5H-quinolin-6-one
SMILESC#CC1=C(N2CC[C@@H](n3cccn3)C2)c2ncccc2CC1=O
InChIInChI=1S/C18H16N4O/c1-2-15-16(23)11-13-5-3-7-19-17(13)18(15)21-10-6-14(12-21)22-9-4-8-20-22/h1,3-5,7-9,14H,6,10-12H2/t14-/m1/s1
InChIKeyLZCZCWOSVZUDLX-CQSZACIVSA-N
MW304.35 g/mol
LogP1.69
Rot. Bonds2

About 7-ethynyl-8-[(3R)-3-pyrazol-1-ylpyrrolidin-1-yl]-5H-quinolin-6-one

7-ethynyl-8-[(3R)-3-pyrazol-1-ylpyrrolidin-1-yl]-5H-quinolin-6-one (PubChem CID 164956910) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 7-ethynyl-8-[(3R)-3-pyrazol-1-ylpyrrolidin-1-yl]-5H-quinolin-6-one.

Molecular Properties

Compound Name7-ethynyl-8-[(3R)-3-pyrazol-1-ylpyrrolidin-1-yl]-5H-quinolin-6-one
PubChem CID164956910
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name7-ethynyl-8-[(3R)-3-pyrazol-1-ylpyrrolidin-1-yl]-5H-quinolin-6-one
SMILESC#CC1=C(N2CC[C@@H](n3cccn3)C2)c2ncccc2CC1=O
InChIInChI=1S/C18H16N4O/c1-2-15-16(23)11-13-5-3-7-19-17(13)18(15)21-10-6-14(12-21)22-9-4-8-20-22/h1,3-5,7-9,14H,6,10-12H2/t14-/m1/s1
InChIKeyLZCZCWOSVZUDLX-CQSZACIVSA-N
XLogP1.69
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-ethynyl-8-[(3R)-3-pyrazol-1-ylpyrrolidin-1-yl]-5H-quinolin-6-one?
The IUPAC name of 7-ethynyl-8-[(3R)-3-pyrazol-1-ylpyrrolidin-1-yl]-5H-quinolin-6-one (CID 164956910) is 7-ethynyl-8-[(3R)-3-pyrazol-1-ylpyrrolidin-1-yl]-5H-quinolin-6-one.
What is the SMILES notation for 7-ethynyl-8-[(3R)-3-pyrazol-1-ylpyrrolidin-1-yl]-5H-quinolin-6-one?
The canonical SMILES for 7-ethynyl-8-[(3R)-3-pyrazol-1-ylpyrrolidin-1-yl]-5H-quinolin-6-one is C#CC1=C(N2CC[C@@H](n3cccn3)C2)c2ncccc2CC1=O.
What is the InChIKey of 7-ethynyl-8-[(3R)-3-pyrazol-1-ylpyrrolidin-1-yl]-5H-quinolin-6-one?
The InChIKey is LZCZCWOSVZUDLX-CQSZACIVSA-N. The full InChI is InChI=1S/C18H16N4O/c1-2-15-16(23)11-13-5-3-7-19-17(13)18(15)21-10-6-14(12-21)22-9-4-8-20-22/h1,3-5,7-9,14H,6,10-12H2/t14-/m1/s1.
What are the key properties of 7-ethynyl-8-[(3R)-3-pyrazol-1-ylpyrrolidin-1-yl]-5H-quinolin-6-one?
7-ethynyl-8-[(3R)-3-pyrazol-1-ylpyrrolidin-1-yl]-5H-quinolin-6-one has a molecular weight of 304.35 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethynyl-8-[(3R)-3-pyrazol-1-ylpyrrolidin-1-yl]-5H-quinolin-6-one is sourced from PubChem (CID 164956910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).