6,8-dimethyl-2-(4-methylpiperazine-1-carbonyl)chromen-4-one

C17H20N2O3 — CID 4974607

IUPAC6,8-dimethyl-2-(4-methylpiperazine-1-carbonyl)chromen-4-one
SMILESCc1cc(C)c2oc(C(=O)N3CCN(C)CC3)cc(=O)c2c1
InChIInChI=1S/C17H20N2O3/c1-11-8-12(2)16-13(9-11)14(20)10-15(22-16)17(21)19-6-4-18(3)5-7-19/h8-10H,4-7H2,1-3H3
InChIKeyOQZWQRPXJMEFIK-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.80
Rot. Bonds1

About 6,8-dimethyl-2-(4-methylpiperazine-1-carbonyl)chromen-4-one

6,8-dimethyl-2-(4-methylpiperazine-1-carbonyl)chromen-4-one (PubChem CID 4974607) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 6,8-dimethyl-2-(4-methylpiperazine-1-carbonyl)chromen-4-one.

Molecular Properties

Compound Name6,8-dimethyl-2-(4-methylpiperazine-1-carbonyl)chromen-4-one
PubChem CID4974607
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name6,8-dimethyl-2-(4-methylpiperazine-1-carbonyl)chromen-4-one
SMILESCc1cc(C)c2oc(C(=O)N3CCN(C)CC3)cc(=O)c2c1
InChIInChI=1S/C17H20N2O3/c1-11-8-12(2)16-13(9-11)14(20)10-15(22-16)17(21)19-6-4-18(3)5-7-19/h8-10H,4-7H2,1-3H3
InChIKeyOQZWQRPXJMEFIK-UHFFFAOYSA-N
XLogP1.80
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-2-(4-methylpiperazine-1-carbonyl)chromen-4-one?
The IUPAC name of 6,8-dimethyl-2-(4-methylpiperazine-1-carbonyl)chromen-4-one (CID 4974607) is 6,8-dimethyl-2-(4-methylpiperazine-1-carbonyl)chromen-4-one.
What is the SMILES notation for 6,8-dimethyl-2-(4-methylpiperazine-1-carbonyl)chromen-4-one?
The canonical SMILES for 6,8-dimethyl-2-(4-methylpiperazine-1-carbonyl)chromen-4-one is Cc1cc(C)c2oc(C(=O)N3CCN(C)CC3)cc(=O)c2c1.
What is the InChIKey of 6,8-dimethyl-2-(4-methylpiperazine-1-carbonyl)chromen-4-one?
The InChIKey is OQZWQRPXJMEFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-11-8-12(2)16-13(9-11)14(20)10-15(22-16)17(21)19-6-4-18(3)5-7-19/h8-10H,4-7H2,1-3H3.
What are the key properties of 6,8-dimethyl-2-(4-methylpiperazine-1-carbonyl)chromen-4-one?
6,8-dimethyl-2-(4-methylpiperazine-1-carbonyl)chromen-4-one has a molecular weight of 300.36 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-2-(4-methylpiperazine-1-carbonyl)chromen-4-one is sourced from PubChem (CID 4974607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).