[4-(4-methoxyphenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone

C25H23N3O2S — CID 2102393

IUPAC[4-(4-methoxyphenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
SMILESCOc1ccc(N2CCN(C(=O)c3cc(-c4cccs4)nc4ccccc34)CC2)cc1
InChIInChI=1S/C25H23N3O2S/c1-30-19-10-8-18(9-11-19)27-12-14-28(15-13-27)25(29)21-17-23(24-7-4-16-31-24)26-22-6-3-2-5-20(21)22/h2-11,16-17H,12-15H2,1H3
InChIKeyKFQIHCKPGKIPBP-UHFFFAOYSA-N
MW429.55 g/mol
LogP4.93
Rot. Bonds4

About [4-(4-methoxyphenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone

[4-(4-methoxyphenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone (PubChem CID 2102393) has the molecular formula C25H23N3O2S and a molecular weight of 429.55 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
PubChem CID2102393
Molecular FormulaC25H23N3O2S
Molecular Weight429.55 g/mol
Exact Mass429.15
IUPAC Name[4-(4-methoxyphenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
SMILESCOc1ccc(N2CCN(C(=O)c3cc(-c4cccs4)nc4ccccc34)CC2)cc1
InChIInChI=1S/C25H23N3O2S/c1-30-19-10-8-18(9-11-19)27-12-14-28(15-13-27)25(29)21-17-23(24-7-4-16-31-24)26-22-6-3-2-5-20(21)22/h2-11,16-17H,12-15H2,1H3
InChIKeyKFQIHCKPGKIPBP-UHFFFAOYSA-N
XLogP4.93
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone?
The IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone (CID 2102393) is [4-(4-methoxyphenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone.
What is the SMILES notation for [4-(4-methoxyphenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone?
The canonical SMILES for [4-(4-methoxyphenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone is COc1ccc(N2CCN(C(=O)c3cc(-c4cccs4)nc4ccccc34)CC2)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone?
The InChIKey is KFQIHCKPGKIPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2S/c1-30-19-10-8-18(9-11-19)27-12-14-28(15-13-27)25(29)21-17-23(24-7-4-16-31-24)26-22-6-3-2-5-20(21)22/h2-11,16-17H,12-15H2,1H3.
What are the key properties of [4-(4-methoxyphenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone?
[4-(4-methoxyphenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone has a molecular weight of 429.55 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone is sourced from PubChem (CID 2102393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).