5-[4-(4-aminobenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one

C20H22N4O2 — CID 13243491

IUPAC5-[4-(4-aminobenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESNc1ccc(C(=O)N2CCN(c3cccc4c3CCC(=O)N4)CC2)cc1
InChIInChI=1S/C20H22N4O2/c21-15-6-4-14(5-7-15)20(26)24-12-10-23(11-13-24)18-3-1-2-17-16(18)8-9-19(25)22-17/h1-7H,8-13,21H2,(H,22,25)
InChIKeyUWEDHQOWAIDOQQ-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.12
Rot. Bonds2

About 5-[4-(4-aminobenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one

5-[4-(4-aminobenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 13243491) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 5-[4-(4-aminobenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[4-(4-aminobenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID13243491
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name5-[4-(4-aminobenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESNc1ccc(C(=O)N2CCN(c3cccc4c3CCC(=O)N4)CC2)cc1
InChIInChI=1S/C20H22N4O2/c21-15-6-4-14(5-7-15)20(26)24-12-10-23(11-13-24)18-3-1-2-17-16(18)8-9-19(25)22-17/h1-7H,8-13,21H2,(H,22,25)
InChIKeyUWEDHQOWAIDOQQ-UHFFFAOYSA-N
XLogP2.12
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-aminobenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 5-[4-(4-aminobenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one (CID 13243491) is 5-[4-(4-aminobenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 5-[4-(4-aminobenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 5-[4-(4-aminobenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one is Nc1ccc(C(=O)N2CCN(c3cccc4c3CCC(=O)N4)CC2)cc1.
What is the InChIKey of 5-[4-(4-aminobenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is UWEDHQOWAIDOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c21-15-6-4-14(5-7-15)20(26)24-12-10-23(11-13-24)18-3-1-2-17-16(18)8-9-19(25)22-17/h1-7H,8-13,21H2,(H,22,25).
What are the key properties of 5-[4-(4-aminobenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one?
5-[4-(4-aminobenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 350.42 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-aminobenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 13243491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).