6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-5,7-dimethyl-3,4-dihydro-1H-quinolin-2-one

C24H28N4OS — CID 18963751

IUPAC6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-5,7-dimethyl-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc2c(c(C)c1CCN1CCN(c3nsc4ccccc34)CC1)CCC(=O)N2
InChIInChI=1S/C24H28N4OS/c1-16-15-21-19(7-8-23(29)25-21)17(2)18(16)9-10-27-11-13-28(14-12-27)24-20-5-3-4-6-22(20)30-26-24/h3-6,15H,7-14H2,1-2H3,(H,25,29)
InChIKeyGSANSAZPTSPORG-UHFFFAOYSA-N
MW420.58 g/mol
LogP4.16
Rot. Bonds4

About 6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-5,7-dimethyl-3,4-dihydro-1H-quinolin-2-one

6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-5,7-dimethyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 18963751) has the molecular formula C24H28N4OS and a molecular weight of 420.58 g/mol. Its IUPAC name is 6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-5,7-dimethyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-5,7-dimethyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID18963751
Molecular FormulaC24H28N4OS
Molecular Weight420.58 g/mol
Exact Mass420.20
IUPAC Name6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-5,7-dimethyl-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc2c(c(C)c1CCN1CCN(c3nsc4ccccc34)CC1)CCC(=O)N2
InChIInChI=1S/C24H28N4OS/c1-16-15-21-19(7-8-23(29)25-21)17(2)18(16)9-10-27-11-13-28(14-12-27)24-20-5-3-4-6-22(20)30-26-24/h3-6,15H,7-14H2,1-2H3,(H,25,29)
InChIKeyGSANSAZPTSPORG-UHFFFAOYSA-N
XLogP4.16
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.58
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-5,7-dimethyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-5,7-dimethyl-3,4-dihydro-1H-quinolin-2-one (CID 18963751) is 6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-5,7-dimethyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-5,7-dimethyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-5,7-dimethyl-3,4-dihydro-1H-quinolin-2-one is Cc1cc2c(c(C)c1CCN1CCN(c3nsc4ccccc34)CC1)CCC(=O)N2.
What is the InChIKey of 6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-5,7-dimethyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is GSANSAZPTSPORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4OS/c1-16-15-21-19(7-8-23(29)25-21)17(2)18(16)9-10-27-11-13-28(14-12-27)24-20-5-3-4-6-22(20)30-26-24/h3-6,15H,7-14H2,1-2H3,(H,25,29).
What are the key properties of 6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-5,7-dimethyl-3,4-dihydro-1H-quinolin-2-one?
6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-5,7-dimethyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 420.58 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-5,7-dimethyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 18963751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).