2-[[4-(4-methoxybenzoyl)piperazin-1-yl]methyl]-1H-quinolin-4-one

C22H23N3O3 — CID 22580394

IUPAC2-[[4-(4-methoxybenzoyl)piperazin-1-yl]methyl]-1H-quinolin-4-one
SMILESCOc1ccc(C(=O)N2CCN(Cc3cc(=O)c4ccccc4[nH]3)CC2)cc1
InChIInChI=1S/C22H23N3O3/c1-28-18-8-6-16(7-9-18)22(27)25-12-10-24(11-13-25)15-17-14-21(26)19-4-2-3-5-20(19)23-17/h2-9,14H,10-13,15H2,1H3,(H,23,26)
InChIKeyATZVJMPXIOOHLT-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.49
Rot. Bonds4

About 2-[[4-(4-methoxybenzoyl)piperazin-1-yl]methyl]-1H-quinolin-4-one

2-[[4-(4-methoxybenzoyl)piperazin-1-yl]methyl]-1H-quinolin-4-one (PubChem CID 22580394) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-[[4-(4-methoxybenzoyl)piperazin-1-yl]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[[4-(4-methoxybenzoyl)piperazin-1-yl]methyl]-1H-quinolin-4-one
PubChem CID22580394
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name2-[[4-(4-methoxybenzoyl)piperazin-1-yl]methyl]-1H-quinolin-4-one
SMILESCOc1ccc(C(=O)N2CCN(Cc3cc(=O)c4ccccc4[nH]3)CC2)cc1
InChIInChI=1S/C22H23N3O3/c1-28-18-8-6-16(7-9-18)22(27)25-12-10-24(11-13-25)15-17-14-21(26)19-4-2-3-5-20(19)23-17/h2-9,14H,10-13,15H2,1H3,(H,23,26)
InChIKeyATZVJMPXIOOHLT-UHFFFAOYSA-N
XLogP2.49
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-methoxybenzoyl)piperazin-1-yl]methyl]-1H-quinolin-4-one?
The IUPAC name of 2-[[4-(4-methoxybenzoyl)piperazin-1-yl]methyl]-1H-quinolin-4-one (CID 22580394) is 2-[[4-(4-methoxybenzoyl)piperazin-1-yl]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 2-[[4-(4-methoxybenzoyl)piperazin-1-yl]methyl]-1H-quinolin-4-one?
The canonical SMILES for 2-[[4-(4-methoxybenzoyl)piperazin-1-yl]methyl]-1H-quinolin-4-one is COc1ccc(C(=O)N2CCN(Cc3cc(=O)c4ccccc4[nH]3)CC2)cc1.
What is the InChIKey of 2-[[4-(4-methoxybenzoyl)piperazin-1-yl]methyl]-1H-quinolin-4-one?
The InChIKey is ATZVJMPXIOOHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-28-18-8-6-16(7-9-18)22(27)25-12-10-24(11-13-25)15-17-14-21(26)19-4-2-3-5-20(19)23-17/h2-9,14H,10-13,15H2,1H3,(H,23,26).
What are the key properties of 2-[[4-(4-methoxybenzoyl)piperazin-1-yl]methyl]-1H-quinolin-4-one?
2-[[4-(4-methoxybenzoyl)piperazin-1-yl]methyl]-1H-quinolin-4-one has a molecular weight of 377.44 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-methoxybenzoyl)piperazin-1-yl]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 22580394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).