8-methyl-7-[2-(4-methylpiperazin-1-yl)ethoxy]-2-morpholin-4-ylchromen-4-one

C21H29N3O4 — CID 4742792

IUPAC8-methyl-7-[2-(4-methylpiperazin-1-yl)ethoxy]-2-morpholin-4-ylchromen-4-one
SMILESCc1c(OCCN2CCN(C)CC2)ccc2c(=O)cc(N3CCOCC3)oc12
InChIInChI=1S/C21H29N3O4/c1-16-19(27-14-9-23-7-5-22(2)6-8-23)4-3-17-18(25)15-20(28-21(16)17)24-10-12-26-13-11-24/h3-4,15H,5-14H2,1-2H3
InChIKeyDXLKLAUQXJQNDN-UHFFFAOYSA-N
MW387.48 g/mol
LogP1.56
Rot. Bonds5

About 8-methyl-7-[2-(4-methylpiperazin-1-yl)ethoxy]-2-morpholin-4-ylchromen-4-one

8-methyl-7-[2-(4-methylpiperazin-1-yl)ethoxy]-2-morpholin-4-ylchromen-4-one (PubChem CID 4742792) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is 8-methyl-7-[2-(4-methylpiperazin-1-yl)ethoxy]-2-morpholin-4-ylchromen-4-one.

Molecular Properties

Compound Name8-methyl-7-[2-(4-methylpiperazin-1-yl)ethoxy]-2-morpholin-4-ylchromen-4-one
PubChem CID4742792
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC Name8-methyl-7-[2-(4-methylpiperazin-1-yl)ethoxy]-2-morpholin-4-ylchromen-4-one
SMILESCc1c(OCCN2CCN(C)CC2)ccc2c(=O)cc(N3CCOCC3)oc12
InChIInChI=1S/C21H29N3O4/c1-16-19(27-14-9-23-7-5-22(2)6-8-23)4-3-17-18(25)15-20(28-21(16)17)24-10-12-26-13-11-24/h3-4,15H,5-14H2,1-2H3
InChIKeyDXLKLAUQXJQNDN-UHFFFAOYSA-N
XLogP1.56
TPSA58.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-7-[2-(4-methylpiperazin-1-yl)ethoxy]-2-morpholin-4-ylchromen-4-one?
The IUPAC name of 8-methyl-7-[2-(4-methylpiperazin-1-yl)ethoxy]-2-morpholin-4-ylchromen-4-one (CID 4742792) is 8-methyl-7-[2-(4-methylpiperazin-1-yl)ethoxy]-2-morpholin-4-ylchromen-4-one.
What is the SMILES notation for 8-methyl-7-[2-(4-methylpiperazin-1-yl)ethoxy]-2-morpholin-4-ylchromen-4-one?
The canonical SMILES for 8-methyl-7-[2-(4-methylpiperazin-1-yl)ethoxy]-2-morpholin-4-ylchromen-4-one is Cc1c(OCCN2CCN(C)CC2)ccc2c(=O)cc(N3CCOCC3)oc12.
What is the InChIKey of 8-methyl-7-[2-(4-methylpiperazin-1-yl)ethoxy]-2-morpholin-4-ylchromen-4-one?
The InChIKey is DXLKLAUQXJQNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-16-19(27-14-9-23-7-5-22(2)6-8-23)4-3-17-18(25)15-20(28-21(16)17)24-10-12-26-13-11-24/h3-4,15H,5-14H2,1-2H3.
What are the key properties of 8-methyl-7-[2-(4-methylpiperazin-1-yl)ethoxy]-2-morpholin-4-ylchromen-4-one?
8-methyl-7-[2-(4-methylpiperazin-1-yl)ethoxy]-2-morpholin-4-ylchromen-4-one has a molecular weight of 387.48 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-7-[2-(4-methylpiperazin-1-yl)ethoxy]-2-morpholin-4-ylchromen-4-one is sourced from PubChem (CID 4742792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).