(E)-1-[4-(8-methylquinolin-4-yl)piperazin-1-yl]pent-2-en-1-one

C19H23N3O — CID 56949203

IUPAC(E)-1-[4-(8-methylquinolin-4-yl)piperazin-1-yl]pent-2-en-1-one
SMILESCC/C=C/C(=O)N1CCN(c2ccnc3c(C)cccc23)CC1
InChIInChI=1S/C19H23N3O/c1-3-4-8-18(23)22-13-11-21(12-14-22)17-9-10-20-19-15(2)6-5-7-16(17)19/h4-10H,3,11-14H2,1-2H3/b8-4+
InChIKeyHQBMOXMHDIKZTJ-XBXARRHUSA-N
MW309.41 g/mol
LogP3.16
Rot. Bonds3

About (E)-1-[4-(8-methylquinolin-4-yl)piperazin-1-yl]pent-2-en-1-one

(E)-1-[4-(8-methylquinolin-4-yl)piperazin-1-yl]pent-2-en-1-one (PubChem CID 56949203) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is (E)-1-[4-(8-methylquinolin-4-yl)piperazin-1-yl]pent-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[4-(8-methylquinolin-4-yl)piperazin-1-yl]pent-2-en-1-one
PubChem CID56949203
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name(E)-1-[4-(8-methylquinolin-4-yl)piperazin-1-yl]pent-2-en-1-one
SMILESCC/C=C/C(=O)N1CCN(c2ccnc3c(C)cccc23)CC1
InChIInChI=1S/C19H23N3O/c1-3-4-8-18(23)22-13-11-21(12-14-22)17-9-10-20-19-15(2)6-5-7-16(17)19/h4-10H,3,11-14H2,1-2H3/b8-4+
InChIKeyHQBMOXMHDIKZTJ-XBXARRHUSA-N
XLogP3.16
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-(8-methylquinolin-4-yl)piperazin-1-yl]pent-2-en-1-one?
The IUPAC name of (E)-1-[4-(8-methylquinolin-4-yl)piperazin-1-yl]pent-2-en-1-one (CID 56949203) is (E)-1-[4-(8-methylquinolin-4-yl)piperazin-1-yl]pent-2-en-1-one.
What is the SMILES notation for (E)-1-[4-(8-methylquinolin-4-yl)piperazin-1-yl]pent-2-en-1-one?
The canonical SMILES for (E)-1-[4-(8-methylquinolin-4-yl)piperazin-1-yl]pent-2-en-1-one is CC/C=C/C(=O)N1CCN(c2ccnc3c(C)cccc23)CC1.
What is the InChIKey of (E)-1-[4-(8-methylquinolin-4-yl)piperazin-1-yl]pent-2-en-1-one?
The InChIKey is HQBMOXMHDIKZTJ-XBXARRHUSA-N. The full InChI is InChI=1S/C19H23N3O/c1-3-4-8-18(23)22-13-11-21(12-14-22)17-9-10-20-19-15(2)6-5-7-16(17)19/h4-10H,3,11-14H2,1-2H3/b8-4+.
What are the key properties of (E)-1-[4-(8-methylquinolin-4-yl)piperazin-1-yl]pent-2-en-1-one?
(E)-1-[4-(8-methylquinolin-4-yl)piperazin-1-yl]pent-2-en-1-one has a molecular weight of 309.41 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-(8-methylquinolin-4-yl)piperazin-1-yl]pent-2-en-1-one is sourced from PubChem (CID 56949203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).