4-(8-methoxyquinolin-2-yl)-1-methylpiperazin-2-one

C15H17N3O2 — CID 39736267

IUPAC4-(8-methoxyquinolin-2-yl)-1-methylpiperazin-2-one
SMILESCOc1cccc2ccc(N3CCN(C)C(=O)C3)nc12
InChIInChI=1S/C15H17N3O2/c1-17-8-9-18(10-14(17)19)13-7-6-11-4-3-5-12(20-2)15(11)16-13/h3-7H,8-10H2,1-2H3
InChIKeyVXGQZRDHCGCKBV-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.52
Rot. Bonds2

About 4-(8-methoxyquinolin-2-yl)-1-methylpiperazin-2-one

4-(8-methoxyquinolin-2-yl)-1-methylpiperazin-2-one (PubChem CID 39736267) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-(8-methoxyquinolin-2-yl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(8-methoxyquinolin-2-yl)-1-methylpiperazin-2-one
PubChem CID39736267
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name4-(8-methoxyquinolin-2-yl)-1-methylpiperazin-2-one
SMILESCOc1cccc2ccc(N3CCN(C)C(=O)C3)nc12
InChIInChI=1S/C15H17N3O2/c1-17-8-9-18(10-14(17)19)13-7-6-11-4-3-5-12(20-2)15(11)16-13/h3-7H,8-10H2,1-2H3
InChIKeyVXGQZRDHCGCKBV-UHFFFAOYSA-N
XLogP1.52
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(8-methoxyquinolin-2-yl)-1-methylpiperazin-2-one?
The IUPAC name of 4-(8-methoxyquinolin-2-yl)-1-methylpiperazin-2-one (CID 39736267) is 4-(8-methoxyquinolin-2-yl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(8-methoxyquinolin-2-yl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(8-methoxyquinolin-2-yl)-1-methylpiperazin-2-one is COc1cccc2ccc(N3CCN(C)C(=O)C3)nc12.
What is the InChIKey of 4-(8-methoxyquinolin-2-yl)-1-methylpiperazin-2-one?
The InChIKey is VXGQZRDHCGCKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-17-8-9-18(10-14(17)19)13-7-6-11-4-3-5-12(20-2)15(11)16-13/h3-7H,8-10H2,1-2H3.
What are the key properties of 4-(8-methoxyquinolin-2-yl)-1-methylpiperazin-2-one?
4-(8-methoxyquinolin-2-yl)-1-methylpiperazin-2-one has a molecular weight of 271.32 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-methoxyquinolin-2-yl)-1-methylpiperazin-2-one is sourced from PubChem (CID 39736267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).