6-ethyl-2-(4-methylpiperazine-1-carbonyl)chromen-4-one

C17H20N2O3 — CID 4898924

IUPAC6-ethyl-2-(4-methylpiperazine-1-carbonyl)chromen-4-one
SMILESCCc1ccc2oc(C(=O)N3CCN(C)CC3)cc(=O)c2c1
InChIInChI=1S/C17H20N2O3/c1-3-12-4-5-15-13(10-12)14(20)11-16(22-15)17(21)19-8-6-18(2)7-9-19/h4-5,10-11H,3,6-9H2,1-2H3
InChIKeyGCYPOLJMUIRBDS-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.74
Rot. Bonds2

About 6-ethyl-2-(4-methylpiperazine-1-carbonyl)chromen-4-one

6-ethyl-2-(4-methylpiperazine-1-carbonyl)chromen-4-one (PubChem CID 4898924) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 6-ethyl-2-(4-methylpiperazine-1-carbonyl)chromen-4-one.

Molecular Properties

Compound Name6-ethyl-2-(4-methylpiperazine-1-carbonyl)chromen-4-one
PubChem CID4898924
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name6-ethyl-2-(4-methylpiperazine-1-carbonyl)chromen-4-one
SMILESCCc1ccc2oc(C(=O)N3CCN(C)CC3)cc(=O)c2c1
InChIInChI=1S/C17H20N2O3/c1-3-12-4-5-15-13(10-12)14(20)11-16(22-15)17(21)19-8-6-18(2)7-9-19/h4-5,10-11H,3,6-9H2,1-2H3
InChIKeyGCYPOLJMUIRBDS-UHFFFAOYSA-N
XLogP1.74
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-ethyl-2-(4-methylpiperazine-1-carbonyl)chromen-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(4-methylpiperazine-1-carbonyl)chromen-4-one?
The IUPAC name of 6-ethyl-2-(4-methylpiperazine-1-carbonyl)chromen-4-one (CID 4898924) is 6-ethyl-2-(4-methylpiperazine-1-carbonyl)chromen-4-one.
What is the SMILES notation for 6-ethyl-2-(4-methylpiperazine-1-carbonyl)chromen-4-one?
The canonical SMILES for 6-ethyl-2-(4-methylpiperazine-1-carbonyl)chromen-4-one is CCc1ccc2oc(C(=O)N3CCN(C)CC3)cc(=O)c2c1.
What is the InChIKey of 6-ethyl-2-(4-methylpiperazine-1-carbonyl)chromen-4-one?
The InChIKey is GCYPOLJMUIRBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-3-12-4-5-15-13(10-12)14(20)11-16(22-15)17(21)19-8-6-18(2)7-9-19/h4-5,10-11H,3,6-9H2,1-2H3.
What are the key properties of 6-ethyl-2-(4-methylpiperazine-1-carbonyl)chromen-4-one?
6-ethyl-2-(4-methylpiperazine-1-carbonyl)chromen-4-one has a molecular weight of 300.36 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(4-methylpiperazine-1-carbonyl)chromen-4-one is sourced from PubChem (CID 4898924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).