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

C21H28ClN3O4 — CID 67870763

IUPAC6-chloro-8-methyl-7-[2-(4-methylpiperazin-2-yl)ethoxy]-2-morpholin-4-ylchromen-4-one
SMILESCc1c(OCCC2CN(C)CCN2)c(Cl)cc2c(=O)cc(N3CCOCC3)oc12
InChIInChI=1S/C21H28ClN3O4/c1-14-20-16(18(26)12-19(29-20)25-6-9-27-10-7-25)11-17(22)21(14)28-8-3-15-13-24(2)5-4-23-15/h11-12,15,23H,3-10,13H2,1-2H3
InChIKeyHITXBAUJLLIASW-UHFFFAOYSA-N
MW421.93 g/mol
LogP2.26
Rot. Bonds5

About 6-chloro-8-methyl-7-[2-(4-methylpiperazin-2-yl)ethoxy]-2-morpholin-4-ylchromen-4-one

6-chloro-8-methyl-7-[2-(4-methylpiperazin-2-yl)ethoxy]-2-morpholin-4-ylchromen-4-one (PubChem CID 67870763) has the molecular formula C21H28ClN3O4 and a molecular weight of 421.93 g/mol. Its IUPAC name is 6-chloro-8-methyl-7-[2-(4-methylpiperazin-2-yl)ethoxy]-2-morpholin-4-ylchromen-4-one.

Molecular Properties

Compound Name6-chloro-8-methyl-7-[2-(4-methylpiperazin-2-yl)ethoxy]-2-morpholin-4-ylchromen-4-one
PubChem CID67870763
Molecular FormulaC21H28ClN3O4
Molecular Weight421.93 g/mol
Exact Mass421.18
IUPAC Name6-chloro-8-methyl-7-[2-(4-methylpiperazin-2-yl)ethoxy]-2-morpholin-4-ylchromen-4-one
SMILESCc1c(OCCC2CN(C)CCN2)c(Cl)cc2c(=O)cc(N3CCOCC3)oc12
InChIInChI=1S/C21H28ClN3O4/c1-14-20-16(18(26)12-19(29-20)25-6-9-27-10-7-25)11-17(22)21(14)28-8-3-15-13-24(2)5-4-23-15/h11-12,15,23H,3-10,13H2,1-2H3
InChIKeyHITXBAUJLLIASW-UHFFFAOYSA-N
XLogP2.26
TPSA67.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(8-methyl-2-morpholin-4-yl-4-oxochromen-7-yl)oxyethyl]piperidine-3-carboxylic acid
CID 21460187
(6,8-dimethyl-2-morpholin-4-yl-4-oxochromen-7-yl) acetate
CID 21460188
8-[2-[4-[3-(ethylamino)-2-pyridinyl]piperazin-2-yl]ethoxy]-2-morpholin-4-ylchromen-4-one
CID 67871097
8-methyl-2-morpholin-4-yl-7-[2-(1,3-thiazolidin-3-yl)ethoxy]chromen-4-one
CID 67718378
8-methyl-2-morpholin-4-yl-7-phenylchromen-4-one
CID 21460270
7-[(4-methoxyphenyl)methoxy]-8-methyl-2-morpholin-4-ylchromen-4-one
CID 15650857
8-methyl-2-morpholin-4-yl-7-phenacyloxychromen-4-one
CID 15650864
8-methyl-2-morpholin-4-yl-7-(pyridin-3-ylmethoxy)chromen-4-one
CID 15650862
8-acetyl-2-morpholin-4-yl-4-oxochromene-6-carboxylic acid
CID 58234981
2-(8-methyl-2-morpholin-4-yl-4-oxochromen-7-yl)oxy-N-pyridin-3-ylacetamide
CID 21460070
8-butyl-2-morpholin-4-yl-7-phenylmethoxychromen-4-one
CID 21460068
2-(1,4-oxazepan-4-yl)benzo[h]chromen-4-one
CID 11208656

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-methyl-7-[2-(4-methylpiperazin-2-yl)ethoxy]-2-morpholin-4-ylchromen-4-one?
The IUPAC name of 6-chloro-8-methyl-7-[2-(4-methylpiperazin-2-yl)ethoxy]-2-morpholin-4-ylchromen-4-one (CID 67870763) is 6-chloro-8-methyl-7-[2-(4-methylpiperazin-2-yl)ethoxy]-2-morpholin-4-ylchromen-4-one.
What is the SMILES notation for 6-chloro-8-methyl-7-[2-(4-methylpiperazin-2-yl)ethoxy]-2-morpholin-4-ylchromen-4-one?
The canonical SMILES for 6-chloro-8-methyl-7-[2-(4-methylpiperazin-2-yl)ethoxy]-2-morpholin-4-ylchromen-4-one is Cc1c(OCCC2CN(C)CCN2)c(Cl)cc2c(=O)cc(N3CCOCC3)oc12.
What is the InChIKey of 6-chloro-8-methyl-7-[2-(4-methylpiperazin-2-yl)ethoxy]-2-morpholin-4-ylchromen-4-one?
The InChIKey is HITXBAUJLLIASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN3O4/c1-14-20-16(18(26)12-19(29-20)25-6-9-27-10-7-25)11-17(22)21(14)28-8-3-15-13-24(2)5-4-23-15/h11-12,15,23H,3-10,13H2,1-2H3.
What are the key properties of 6-chloro-8-methyl-7-[2-(4-methylpiperazin-2-yl)ethoxy]-2-morpholin-4-ylchromen-4-one?
6-chloro-8-methyl-7-[2-(4-methylpiperazin-2-yl)ethoxy]-2-morpholin-4-ylchromen-4-one has a molecular weight of 421.93 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-methyl-7-[2-(4-methylpiperazin-2-yl)ethoxy]-2-morpholin-4-ylchromen-4-one is sourced from PubChem (CID 67870763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).