6-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylprop-1-enyl]-3-ethyl-1H-quinolin-2-one

C27H30N2O3 — CID 59596049

IUPAC6-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylprop-1-enyl]-3-ethyl-1H-quinolin-2-one
SMILESCCc1cc2cc(/C(=C/CN3CCCCC3)c3ccc4c(c3)OCCO4)ccc2[nH]c1=O
InChIInChI=1S/C27H30N2O3/c1-2-19-16-22-17-20(6-8-24(22)28-27(19)30)23(10-13-29-11-4-3-5-12-29)21-7-9-25-26(18-21)32-15-14-31-25/h6-10,16-18H,2-5,11-15H2,1H3,(H,28,30)/b23-10-
InChIKeyNLVAHVHADIRXID-RMORIDSASA-N
MW430.55 g/mol
LogP4.78
Rot. Bonds5

About 6-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylprop-1-enyl]-3-ethyl-1H-quinolin-2-one

6-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylprop-1-enyl]-3-ethyl-1H-quinolin-2-one (PubChem CID 59596049) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is 6-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylprop-1-enyl]-3-ethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylprop-1-enyl]-3-ethyl-1H-quinolin-2-one
PubChem CID59596049
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC Name6-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylprop-1-enyl]-3-ethyl-1H-quinolin-2-one
SMILESCCc1cc2cc(/C(=C/CN3CCCCC3)c3ccc4c(c3)OCCO4)ccc2[nH]c1=O
InChIInChI=1S/C27H30N2O3/c1-2-19-16-22-17-20(6-8-24(22)28-27(19)30)23(10-13-29-11-4-3-5-12-29)21-7-9-25-26(18-21)32-15-14-31-25/h6-10,16-18H,2-5,11-15H2,1H3,(H,28,30)/b23-10-
InChIKeyNLVAHVHADIRXID-RMORIDSASA-N
XLogP4.78
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylprop-1-enyl]-3-ethyl-1H-quinolin-2-one?
The IUPAC name of 6-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylprop-1-enyl]-3-ethyl-1H-quinolin-2-one (CID 59596049) is 6-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylprop-1-enyl]-3-ethyl-1H-quinolin-2-one.
What is the SMILES notation for 6-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylprop-1-enyl]-3-ethyl-1H-quinolin-2-one?
The canonical SMILES for 6-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylprop-1-enyl]-3-ethyl-1H-quinolin-2-one is CCc1cc2cc(/C(=C/CN3CCCCC3)c3ccc4c(c3)OCCO4)ccc2[nH]c1=O.
What is the InChIKey of 6-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylprop-1-enyl]-3-ethyl-1H-quinolin-2-one?
The InChIKey is NLVAHVHADIRXID-RMORIDSASA-N. The full InChI is InChI=1S/C27H30N2O3/c1-2-19-16-22-17-20(6-8-24(22)28-27(19)30)23(10-13-29-11-4-3-5-12-29)21-7-9-25-26(18-21)32-15-14-31-25/h6-10,16-18H,2-5,11-15H2,1H3,(H,28,30)/b23-10-.
What are the key properties of 6-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylprop-1-enyl]-3-ethyl-1H-quinolin-2-one?
6-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylprop-1-enyl]-3-ethyl-1H-quinolin-2-one has a molecular weight of 430.55 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylprop-1-enyl]-3-ethyl-1H-quinolin-2-one is sourced from PubChem (CID 59596049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).