2-[4-(2-oxo-1-phenylquinolin-4-yl)piperazin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

C30H27N5O2S — CID 164616997

IUPAC2-[4-(2-oxo-1-phenylquinolin-4-yl)piperazin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1CCN(c2cc(=O)n(-c3ccccc3)c3ccccc23)CC1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C30H27N5O2S/c36-28(32-30-31-25(21-38-30)22-9-3-1-4-10-22)20-33-15-17-34(18-16-33)27-19-29(37)35(23-11-5-2-6-12-23)26-14-8-7-13-24(26)27/h1-14,19,21H,15-18,20H2,(H,31,32,36)
InChIKeyAOTWKSNYVYTRFT-UHFFFAOYSA-N
MW521.65 g/mol
LogP4.87
Rot. Bonds6

About 2-[4-(2-oxo-1-phenylquinolin-4-yl)piperazin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

2-[4-(2-oxo-1-phenylquinolin-4-yl)piperazin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 164616997) has the molecular formula C30H27N5O2S and a molecular weight of 521.65 g/mol. Its IUPAC name is 2-[4-(2-oxo-1-phenylquinolin-4-yl)piperazin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(2-oxo-1-phenylquinolin-4-yl)piperazin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID164616997
Molecular FormulaC30H27N5O2S
Molecular Weight521.65 g/mol
Exact Mass521.19
IUPAC Name2-[4-(2-oxo-1-phenylquinolin-4-yl)piperazin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1CCN(c2cc(=O)n(-c3ccccc3)c3ccccc23)CC1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C30H27N5O2S/c36-28(32-30-31-25(21-38-30)22-9-3-1-4-10-22)20-33-15-17-34(18-16-33)27-19-29(37)35(23-11-5-2-6-12-23)26-14-8-7-13-24(26)27/h1-14,19,21H,15-18,20H2,(H,31,32,36)
InChIKeyAOTWKSNYVYTRFT-UHFFFAOYSA-N
XLogP4.87
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.65
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-oxo-1-phenylquinolin-4-yl)piperazin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(2-oxo-1-phenylquinolin-4-yl)piperazin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 164616997) is 2-[4-(2-oxo-1-phenylquinolin-4-yl)piperazin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(2-oxo-1-phenylquinolin-4-yl)piperazin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(2-oxo-1-phenylquinolin-4-yl)piperazin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is O=C(CN1CCN(c2cc(=O)n(-c3ccccc3)c3ccccc23)CC1)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-[4-(2-oxo-1-phenylquinolin-4-yl)piperazin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is AOTWKSNYVYTRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N5O2S/c36-28(32-30-31-25(21-38-30)22-9-3-1-4-10-22)20-33-15-17-34(18-16-33)27-19-29(37)35(23-11-5-2-6-12-23)26-14-8-7-13-24(26)27/h1-14,19,21H,15-18,20H2,(H,31,32,36).
What are the key properties of 2-[4-(2-oxo-1-phenylquinolin-4-yl)piperazin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
2-[4-(2-oxo-1-phenylquinolin-4-yl)piperazin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 521.65 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-oxo-1-phenylquinolin-4-yl)piperazin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 164616997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).