(E)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-quinolin-2-ylprop-2-en-1-one

C23H23N3O2 — CID 9158346

IUPAC(E)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-quinolin-2-ylprop-2-en-1-one
SMILESCOc1ccc(N2CCN(C(=O)/C=C/c3ccc4ccccc4n3)CC2)cc1
InChIInChI=1S/C23H23N3O2/c1-28-21-11-9-20(10-12-21)25-14-16-26(17-15-25)23(27)13-8-19-7-6-18-4-2-3-5-22(18)24-19/h2-13H,14-17H2,1H3/b13-8+
InChIKeyZMNXOJRCGJWIFH-MDWZMJQESA-N
MW373.46 g/mol
LogP3.61
Rot. Bonds4

About (E)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-quinolin-2-ylprop-2-en-1-one

(E)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-quinolin-2-ylprop-2-en-1-one (PubChem CID 9158346) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is (E)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-quinolin-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-quinolin-2-ylprop-2-en-1-one
PubChem CID9158346
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name(E)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-quinolin-2-ylprop-2-en-1-one
SMILESCOc1ccc(N2CCN(C(=O)/C=C/c3ccc4ccccc4n3)CC2)cc1
InChIInChI=1S/C23H23N3O2/c1-28-21-11-9-20(10-12-21)25-14-16-26(17-15-25)23(27)13-8-19-7-6-18-4-2-3-5-22(18)24-19/h2-13H,14-17H2,1H3/b13-8+
InChIKeyZMNXOJRCGJWIFH-MDWZMJQESA-N
XLogP3.61
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-3-[6-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride
CID 75067538
(E)-3-(6-methoxynaphthalen-2-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one
CID 9272098
3-(3-methoxyphenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one
CID 78287690
(E)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one
CID 8969536
(E)-3-(2,3-dichlorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one
CID 9158405
(E)-3-(3-bromophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one
CID 9158904
(E)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 9158421
(E)-1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-quinolin-2-ylprop-2-en-1-one
CID 2440581
methyl 3-quinolin-2-ylprop-2-enoate
CID 513392
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(2,4-dimethoxyphenyl)prop-2-en-1-one
CID 75910349
(E)-3-(6-methoxynaphthalen-2-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]prop-2-en-1-one
CID 9273218
[4-(3-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone
CID 2023384

Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-quinolin-2-ylprop-2-en-1-one?
The IUPAC name of (E)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-quinolin-2-ylprop-2-en-1-one (CID 9158346) is (E)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-quinolin-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-quinolin-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-quinolin-2-ylprop-2-en-1-one is COc1ccc(N2CCN(C(=O)/C=C/c3ccc4ccccc4n3)CC2)cc1.
What is the InChIKey of (E)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-quinolin-2-ylprop-2-en-1-one?
The InChIKey is ZMNXOJRCGJWIFH-MDWZMJQESA-N. The full InChI is InChI=1S/C23H23N3O2/c1-28-21-11-9-20(10-12-21)25-14-16-26(17-15-25)23(27)13-8-19-7-6-18-4-2-3-5-22(18)24-19/h2-13H,14-17H2,1H3/b13-8+.
What are the key properties of (E)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-quinolin-2-ylprop-2-en-1-one?
(E)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-quinolin-2-ylprop-2-en-1-one has a molecular weight of 373.46 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-quinolin-2-ylprop-2-en-1-one is sourced from PubChem (CID 9158346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).