8-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one

C22H24N4OS — CID 10432760

IUPAC8-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cccc(CCN3CCN(c4nsc5ccccc45)CC3)c2N1
InChIInChI=1S/C22H24N4OS/c27-20-9-8-16-4-3-5-17(21(16)23-20)10-11-25-12-14-26(15-13-25)22-18-6-1-2-7-19(18)28-24-22/h1-7H,8-15H2,(H,23,27)
InChIKeyKFURNDMKXUAAPV-UHFFFAOYSA-N
MW392.53 g/mol
LogP3.55
Rot. Bonds4

About 8-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one

8-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 10432760) has the molecular formula C22H24N4OS and a molecular weight of 392.53 g/mol. Its IUPAC name is 8-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name8-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID10432760
Molecular FormulaC22H24N4OS
Molecular Weight392.53 g/mol
Exact Mass392.17
IUPAC Name8-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cccc(CCN3CCN(c4nsc5ccccc45)CC3)c2N1
InChIInChI=1S/C22H24N4OS/c27-20-9-8-16-4-3-5-17(21(16)23-20)10-11-25-12-14-26(15-13-25)22-18-6-1-2-7-19(18)28-24-22/h1-7H,8-15H2,(H,23,27)
InChIKeyKFURNDMKXUAAPV-UHFFFAOYSA-N
XLogP3.55
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 8-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one (CID 10432760) is 8-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 8-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 8-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cccc(CCN3CCN(c4nsc5ccccc45)CC3)c2N1.
What is the InChIKey of 8-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is KFURNDMKXUAAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4OS/c27-20-9-8-16-4-3-5-17(21(16)23-20)10-11-25-12-14-26(15-13-25)22-18-6-1-2-7-19(18)28-24-22/h1-7H,8-15H2,(H,23,27).
What are the key properties of 8-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one?
8-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 392.53 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 10432760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).