2-(6-methoxy-3-pyridinyl)-6-piperazin-1-yl-2,3-dihydrochromen-4-one

C19H21N3O3 — CID 141386053

IUPAC2-(6-methoxy-3-pyridinyl)-6-piperazin-1-yl-2,3-dihydrochromen-4-one
SMILESCOc1ccc(C2CC(=O)c3cc(N4CCNCC4)ccc3O2)cn1
InChIInChI=1S/C19H21N3O3/c1-24-19-5-2-13(12-21-19)18-11-16(23)15-10-14(3-4-17(15)25-18)22-8-6-20-7-9-22/h2-5,10,12,18,20H,6-9,11H2,1H3
InChIKeyMELOHUDRHMFSQQ-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.21
Rot. Bonds3

About 2-(6-methoxy-3-pyridinyl)-6-piperazin-1-yl-2,3-dihydrochromen-4-one

2-(6-methoxy-3-pyridinyl)-6-piperazin-1-yl-2,3-dihydrochromen-4-one (PubChem CID 141386053) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-(6-methoxy-3-pyridinyl)-6-piperazin-1-yl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-(6-methoxy-3-pyridinyl)-6-piperazin-1-yl-2,3-dihydrochromen-4-one
PubChem CID141386053
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name2-(6-methoxy-3-pyridinyl)-6-piperazin-1-yl-2,3-dihydrochromen-4-one
SMILESCOc1ccc(C2CC(=O)c3cc(N4CCNCC4)ccc3O2)cn1
InChIInChI=1S/C19H21N3O3/c1-24-19-5-2-13(12-21-19)18-11-16(23)15-10-14(3-4-17(15)25-18)22-8-6-20-7-9-22/h2-5,10,12,18,20H,6-9,11H2,1H3
InChIKeyMELOHUDRHMFSQQ-UHFFFAOYSA-N
XLogP2.21
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-3-pyridinyl)-6-piperazin-1-yl-2,3-dihydrochromen-4-one?
The IUPAC name of 2-(6-methoxy-3-pyridinyl)-6-piperazin-1-yl-2,3-dihydrochromen-4-one (CID 141386053) is 2-(6-methoxy-3-pyridinyl)-6-piperazin-1-yl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-(6-methoxy-3-pyridinyl)-6-piperazin-1-yl-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-(6-methoxy-3-pyridinyl)-6-piperazin-1-yl-2,3-dihydrochromen-4-one is COc1ccc(C2CC(=O)c3cc(N4CCNCC4)ccc3O2)cn1.
What is the InChIKey of 2-(6-methoxy-3-pyridinyl)-6-piperazin-1-yl-2,3-dihydrochromen-4-one?
The InChIKey is MELOHUDRHMFSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-24-19-5-2-13(12-21-19)18-11-16(23)15-10-14(3-4-17(15)25-18)22-8-6-20-7-9-22/h2-5,10,12,18,20H,6-9,11H2,1H3.
What are the key properties of 2-(6-methoxy-3-pyridinyl)-6-piperazin-1-yl-2,3-dihydrochromen-4-one?
2-(6-methoxy-3-pyridinyl)-6-piperazin-1-yl-2,3-dihydrochromen-4-one has a molecular weight of 339.40 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-3-pyridinyl)-6-piperazin-1-yl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 141386053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).