4-(4-phenylpiperazine-1-carbonyl)-1H-quinolin-2-one

C20H19N3O2 — CID 2083510

IUPAC4-(4-phenylpiperazine-1-carbonyl)-1H-quinolin-2-one
SMILESO=C(c1cc(=O)[nH]c2ccccc12)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H19N3O2/c24-19-14-17(16-8-4-5-9-18(16)21-19)20(25)23-12-10-22(11-13-23)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,21,24)
InChIKeyNZVVEMCRCLJDCU-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.49
Rot. Bonds2

About 4-(4-phenylpiperazine-1-carbonyl)-1H-quinolin-2-one

4-(4-phenylpiperazine-1-carbonyl)-1H-quinolin-2-one (PubChem CID 2083510) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 4-(4-phenylpiperazine-1-carbonyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(4-phenylpiperazine-1-carbonyl)-1H-quinolin-2-one
PubChem CID2083510
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name4-(4-phenylpiperazine-1-carbonyl)-1H-quinolin-2-one
SMILESO=C(c1cc(=O)[nH]c2ccccc12)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H19N3O2/c24-19-14-17(16-8-4-5-9-18(16)21-19)20(25)23-12-10-22(11-13-23)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,21,24)
InChIKeyNZVVEMCRCLJDCU-UHFFFAOYSA-N
XLogP2.49
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylpiperazine-1-carbonyl)-1H-quinolin-2-one?
The IUPAC name of 4-(4-phenylpiperazine-1-carbonyl)-1H-quinolin-2-one (CID 2083510) is 4-(4-phenylpiperazine-1-carbonyl)-1H-quinolin-2-one.
What is the SMILES notation for 4-(4-phenylpiperazine-1-carbonyl)-1H-quinolin-2-one?
The canonical SMILES for 4-(4-phenylpiperazine-1-carbonyl)-1H-quinolin-2-one is O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 4-(4-phenylpiperazine-1-carbonyl)-1H-quinolin-2-one?
The InChIKey is NZVVEMCRCLJDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-19-14-17(16-8-4-5-9-18(16)21-19)20(25)23-12-10-22(11-13-23)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,21,24).
What are the key properties of 4-(4-phenylpiperazine-1-carbonyl)-1H-quinolin-2-one?
4-(4-phenylpiperazine-1-carbonyl)-1H-quinolin-2-one has a molecular weight of 333.39 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylpiperazine-1-carbonyl)-1H-quinolin-2-one is sourced from PubChem (CID 2083510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).