(2-phenyl-8-thiophen-2-ylquinolin-4-yl)-piperazin-1-ylmethanone

C24H21N3OS — CID 162644748

IUPAC(2-phenyl-8-thiophen-2-ylquinolin-4-yl)-piperazin-1-ylmethanone
SMILESO=C(c1cc(-c2ccccc2)nc2c(-c3cccs3)cccc12)N1CCNCC1
InChIInChI=1S/C24H21N3OS/c28-24(27-13-11-25-12-14-27)20-16-21(17-6-2-1-3-7-17)26-23-18(20)8-4-9-19(23)22-10-5-15-29-22/h1-10,15-16,25H,11-14H2
InChIKeyRFAZBKJYWYYECH-UHFFFAOYSA-N
MW399.52 g/mol
LogP4.68
Rot. Bonds3

About (2-phenyl-8-thiophen-2-ylquinolin-4-yl)-piperazin-1-ylmethanone

(2-phenyl-8-thiophen-2-ylquinolin-4-yl)-piperazin-1-ylmethanone (PubChem CID 162644748) has the molecular formula C24H21N3OS and a molecular weight of 399.52 g/mol. Its IUPAC name is (2-phenyl-8-thiophen-2-ylquinolin-4-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(2-phenyl-8-thiophen-2-ylquinolin-4-yl)-piperazin-1-ylmethanone
PubChem CID162644748
Molecular FormulaC24H21N3OS
Molecular Weight399.52 g/mol
Exact Mass399.14
IUPAC Name(2-phenyl-8-thiophen-2-ylquinolin-4-yl)-piperazin-1-ylmethanone
SMILESO=C(c1cc(-c2ccccc2)nc2c(-c3cccs3)cccc12)N1CCNCC1
InChIInChI=1S/C24H21N3OS/c28-24(27-13-11-25-12-14-27)20-16-21(17-6-2-1-3-7-17)26-23-18(20)8-4-9-19(23)22-10-5-15-29-22/h1-10,15-16,25H,11-14H2
InChIKeyRFAZBKJYWYYECH-UHFFFAOYSA-N
XLogP4.68
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-chlorophenyl)piperazin-1-yl]-(2-phenyl-8-thiophen-2-ylquinolin-4-yl)methanone
CID 162654911
morpholin-4-yl-(2-phenyl-8-thiophen-2-yl-1,6-naphthyridin-4-yl)methanone
CID 162668697
(2-methyl-8-thiophen-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 46383049
5-(piperazine-1-carbonyl)-3-thiophen-2-yl-1H-pyridazin-6-one
CID 82446499
piperazin-1-yl-(3-thiophen-2-ylphenyl)methanone
CID 39371882
8-methyl-2-phenyl-4-thiophen-2-ylquinoline
CID 174885193
1,4-diazepan-1-yl-[2-(4-methoxyphenyl)quinolin-4-yl]methanone;dihydrochloride
CID 119415935
(7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)-piperazin-1-ylmethanone
CID 46191004
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2-thiophen-2-ylquinolin-4-yl)methanone
CID 42470155
[4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
CID 119559767
morpholin-4-yl-[2-phenyl-8-(2-phenylethynyl)quinolin-4-yl]methanone
CID 162644548
piperazin-1-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 24858712

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-8-thiophen-2-ylquinolin-4-yl)-piperazin-1-ylmethanone?
The IUPAC name of (2-phenyl-8-thiophen-2-ylquinolin-4-yl)-piperazin-1-ylmethanone (CID 162644748) is (2-phenyl-8-thiophen-2-ylquinolin-4-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (2-phenyl-8-thiophen-2-ylquinolin-4-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (2-phenyl-8-thiophen-2-ylquinolin-4-yl)-piperazin-1-ylmethanone is O=C(c1cc(-c2ccccc2)nc2c(-c3cccs3)cccc12)N1CCNCC1.
What is the InChIKey of (2-phenyl-8-thiophen-2-ylquinolin-4-yl)-piperazin-1-ylmethanone?
The InChIKey is RFAZBKJYWYYECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3OS/c28-24(27-13-11-25-12-14-27)20-16-21(17-6-2-1-3-7-17)26-23-18(20)8-4-9-19(23)22-10-5-15-29-22/h1-10,15-16,25H,11-14H2.
What are the key properties of (2-phenyl-8-thiophen-2-ylquinolin-4-yl)-piperazin-1-ylmethanone?
(2-phenyl-8-thiophen-2-ylquinolin-4-yl)-piperazin-1-ylmethanone has a molecular weight of 399.52 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-8-thiophen-2-ylquinolin-4-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 162644748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).