4-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carbonyl]-1H-quinolin-2-one

C19H20N4O2S — CID 126776288

IUPAC4-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carbonyl]-1H-quinolin-2-one
SMILESCC(c1nccs1)N1CCN(C(=O)c2cc(=O)[nH]c3ccccc23)CC1
InChIInChI=1S/C19H20N4O2S/c1-13(18-20-6-11-26-18)22-7-9-23(10-8-22)19(25)15-12-17(24)21-16-5-3-2-4-14(15)16/h2-6,11-13H,7-10H2,1H3,(H,21,24)
InChIKeyPFBCWALIQBSLBA-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.50
Rot. Bonds3

About 4-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carbonyl]-1H-quinolin-2-one

4-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carbonyl]-1H-quinolin-2-one (PubChem CID 126776288) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carbonyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carbonyl]-1H-quinolin-2-one
PubChem CID126776288
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name4-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carbonyl]-1H-quinolin-2-one
SMILESCC(c1nccs1)N1CCN(C(=O)c2cc(=O)[nH]c3ccccc23)CC1
InChIInChI=1S/C19H20N4O2S/c1-13(18-20-6-11-26-18)22-7-9-23(10-8-22)19(25)15-12-17(24)21-16-5-3-2-4-14(15)16/h2-6,11-13H,7-10H2,1H3,(H,21,24)
InChIKeyPFBCWALIQBSLBA-UHFFFAOYSA-N
XLogP2.50
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methylquinolin-3-yl)-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]methanone
CID 126773535
4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-quinolin-2-one
CID 18104771
4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-1H-quinolin-2-one
CID 155963104
1-[2-methyl-5-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carbonyl]phenyl]ethanone
CID 136538141
4-(4-ethylpiperazin-4-ium-1-carbonyl)-1H-quinolin-2-one
CID 2394404
4-(1,3-dihydroisoindole-2-carbonyl)-1H-quinolin-2-one
CID 72892217
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one
CID 2102546
4-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazine-1-carbonyl]-1H-quinolin-2-one
CID 95759127
1-(2-oxo-1H-quinoline-4-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 71893089
4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-1H-quinolin-2-one
CID 17489095
1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-4-carbonitrile
CID 47086841
4-[4-(2,5-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-1H-quinolin-2-one
CID 26870155

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carbonyl]-1H-quinolin-2-one?
The IUPAC name of 4-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carbonyl]-1H-quinolin-2-one (CID 126776288) is 4-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carbonyl]-1H-quinolin-2-one.
What is the SMILES notation for 4-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carbonyl]-1H-quinolin-2-one?
The canonical SMILES for 4-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carbonyl]-1H-quinolin-2-one is CC(c1nccs1)N1CCN(C(=O)c2cc(=O)[nH]c3ccccc23)CC1.
What is the InChIKey of 4-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carbonyl]-1H-quinolin-2-one?
The InChIKey is PFBCWALIQBSLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-13(18-20-6-11-26-18)22-7-9-23(10-8-22)19(25)15-12-17(24)21-16-5-3-2-4-14(15)16/h2-6,11-13H,7-10H2,1H3,(H,21,24).
What are the key properties of 4-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carbonyl]-1H-quinolin-2-one?
4-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carbonyl]-1H-quinolin-2-one has a molecular weight of 368.46 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carbonyl]-1H-quinolin-2-one is sourced from PubChem (CID 126776288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).