7-methoxy-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]chromen-2-one

C20H20N4O4 — CID 71602714

IUPAC7-methoxy-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]chromen-2-one
SMILESCOc1ccc2cc(C(=O)CN3CCN(c4ncccn4)CC3)c(=O)oc2c1
InChIInChI=1S/C20H20N4O4/c1-27-15-4-3-14-11-16(19(26)28-18(14)12-15)17(25)13-23-7-9-24(10-8-23)20-21-5-2-6-22-20/h2-6,11-12H,7-10,13H2,1H3
InChIKeyZHTSGNRVLVCBPN-UHFFFAOYSA-N
MW380.40 g/mol
LogP1.60
Rot. Bonds5

About 7-methoxy-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]chromen-2-one

7-methoxy-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]chromen-2-one (PubChem CID 71602714) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 7-methoxy-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]chromen-2-one.

Molecular Properties

Compound Name7-methoxy-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]chromen-2-one
PubChem CID71602714
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name7-methoxy-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]chromen-2-one
SMILESCOc1ccc2cc(C(=O)CN3CCN(c4ncccn4)CC3)c(=O)oc2c1
InChIInChI=1S/C20H20N4O4/c1-27-15-4-3-14-11-16(19(26)28-18(14)12-15)17(25)13-23-7-9-24(10-8-23)20-21-5-2-6-22-20/h2-6,11-12H,7-10,13H2,1H3
InChIKeyZHTSGNRVLVCBPN-UHFFFAOYSA-N
XLogP1.60
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 7-methoxy-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]chromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Methyl-7-pyrimidin-2-yloxychromen-2-one
CID 2099430
4-Methyl-7-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]chromen-2-one
CID 44294683
4-Methyl-7-{3-[4-(2-pyrimidinyl)-1-piperazinyl]propoxy}coumarin
CID 44294687
4-Methoxy-7-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]chromen-2-one
CID 44294972
4-Methoxy-7-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]chromen-2-one
CID 44294988
4-Methyl-7-[4-(4-pyridin-2-ylpiperazin-1-yl)butoxy]chromen-2-one
CID 71681061
3-(4-(pyrimidin-2-yl)piperazine-1-carbonyl)-2H-chromen-2-one
CID 829746
4-Propyl-7-pyrimidin-2-yloxychromen-2-one
CID 2099264
7-Methoxy-3-[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]chromen-2-one
CID 71602713
4-[4-(4-Pyrimidin-2-ylpiperazin-1-yl)butoxy]chromen-2-one
CID 155521872
4-[3-(4-Pyrimidin-2-ylpiperazin-1-yl)propoxy]chromen-2-one
CID 155552813
Penten-3-one, 5-(4-(2-pyrimidyl)piperazinyl)-1-(3,4,5-trimethoxyphenyl)-, hydrochloride
CID 6445515

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]chromen-2-one?
The IUPAC name of 7-methoxy-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]chromen-2-one (CID 71602714) is 7-methoxy-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]chromen-2-one.
What is the SMILES notation for 7-methoxy-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]chromen-2-one?
The canonical SMILES for 7-methoxy-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]chromen-2-one is COc1ccc2cc(C(=O)CN3CCN(c4ncccn4)CC3)c(=O)oc2c1.
What is the InChIKey of 7-methoxy-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]chromen-2-one?
The InChIKey is ZHTSGNRVLVCBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-27-15-4-3-14-11-16(19(26)28-18(14)12-15)17(25)13-23-7-9-24(10-8-23)20-21-5-2-6-22-20/h2-6,11-12H,7-10,13H2,1H3.
What are the key properties of 7-methoxy-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]chromen-2-one?
7-methoxy-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]chromen-2-one has a molecular weight of 380.40 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]chromen-2-one is sourced from PubChem (CID 71602714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).