8-methoxy-4-methyl-2-piperazin-1-ylquinoline;oxalic acid

C17H21N3O5 — CID 75464988

IUPAC8-methoxy-4-methyl-2-piperazin-1-ylquinoline;oxalic acid
SMILESCOc1cccc2c(C)cc(N3CCNCC3)nc12.O=C(O)C(=O)O
InChIInChI=1S/C15H19N3O.C2H2O4/c1-11-10-14(18-8-6-16-7-9-18)17-15-12(11)4-3-5-13(15)19-2;3-1(4)2(5)6/h3-5,10,16H,6-9H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyKVVFFXASWDORHA-UHFFFAOYSA-N
MW347.37 g/mol
LogP1.12
Rot. Bonds2

About 8-methoxy-4-methyl-2-piperazin-1-ylquinoline;oxalic acid

8-methoxy-4-methyl-2-piperazin-1-ylquinoline;oxalic acid (PubChem CID 75464988) has the molecular formula C17H21N3O5 and a molecular weight of 347.37 g/mol. Its IUPAC name is 8-methoxy-4-methyl-2-piperazin-1-ylquinoline;oxalic acid.

Molecular Properties

Compound Name8-methoxy-4-methyl-2-piperazin-1-ylquinoline;oxalic acid
PubChem CID75464988
Molecular FormulaC17H21N3O5
Molecular Weight347.37 g/mol
Exact Mass347.15
IUPAC Name8-methoxy-4-methyl-2-piperazin-1-ylquinoline;oxalic acid
SMILESCOc1cccc2c(C)cc(N3CCNCC3)nc12.O=C(O)C(=O)O
InChIInChI=1S/C15H19N3O.C2H2O4/c1-11-10-14(18-8-6-16-7-9-18)17-15-12(11)4-3-5-13(15)19-2;3-1(4)2(5)6/h3-5,10,16H,6-9H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyKVVFFXASWDORHA-UHFFFAOYSA-N
XLogP1.12
TPSA111.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-4-methyl-2-piperazin-1-ylquinoline;oxalic acid?
The IUPAC name of 8-methoxy-4-methyl-2-piperazin-1-ylquinoline;oxalic acid (CID 75464988) is 8-methoxy-4-methyl-2-piperazin-1-ylquinoline;oxalic acid.
What is the SMILES notation for 8-methoxy-4-methyl-2-piperazin-1-ylquinoline;oxalic acid?
The canonical SMILES for 8-methoxy-4-methyl-2-piperazin-1-ylquinoline;oxalic acid is COc1cccc2c(C)cc(N3CCNCC3)nc12.O=C(O)C(=O)O.
What is the InChIKey of 8-methoxy-4-methyl-2-piperazin-1-ylquinoline;oxalic acid?
The InChIKey is KVVFFXASWDORHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O.C2H2O4/c1-11-10-14(18-8-6-16-7-9-18)17-15-12(11)4-3-5-13(15)19-2;3-1(4)2(5)6/h3-5,10,16H,6-9H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 8-methoxy-4-methyl-2-piperazin-1-ylquinoline;oxalic acid?
8-methoxy-4-methyl-2-piperazin-1-ylquinoline;oxalic acid has a molecular weight of 347.37 g/mol, XLogP of 1.12, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4-methyl-2-piperazin-1-ylquinoline;oxalic acid is sourced from PubChem (CID 75464988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).