8-[2-[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]ethoxy]-2-morpholin-4-ylchromen-4-one

C26H33N5O4 — CID 21460220

IUPAC8-[2-[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]ethoxy]-2-morpholin-4-ylchromen-4-one
SMILESCCNc1cccnc1N1CCN(CCOc2cccc3c(=O)cc(N4CCOCC4)oc23)CC1
InChIInChI=1S/C26H33N5O4/c1-2-27-21-6-4-8-28-26(21)31-11-9-29(10-12-31)13-18-34-23-7-3-5-20-22(32)19-24(35-25(20)23)30-14-16-33-17-15-30/h3-8,19,27H,2,9-18H2,1H3
InChIKeyWLCGZUGGELMOHT-UHFFFAOYSA-N
MW479.58 g/mol
LogP2.66
Rot. Bonds8

About 8-[2-[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]ethoxy]-2-morpholin-4-ylchromen-4-one

8-[2-[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]ethoxy]-2-morpholin-4-ylchromen-4-one (PubChem CID 21460220) has the molecular formula C26H33N5O4 and a molecular weight of 479.58 g/mol. Its IUPAC name is 8-[2-[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]ethoxy]-2-morpholin-4-ylchromen-4-one.

Molecular Properties

Compound Name8-[2-[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]ethoxy]-2-morpholin-4-ylchromen-4-one
PubChem CID21460220
Molecular FormulaC26H33N5O4
Molecular Weight479.58 g/mol
Exact Mass479.25
IUPAC Name8-[2-[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]ethoxy]-2-morpholin-4-ylchromen-4-one
SMILESCCNc1cccnc1N1CCN(CCOc2cccc3c(=O)cc(N4CCOCC4)oc23)CC1
InChIInChI=1S/C26H33N5O4/c1-2-27-21-6-4-8-28-26(21)31-11-9-29(10-12-31)13-18-34-23-7-3-5-20-22(32)19-24(35-25(20)23)30-14-16-33-17-15-30/h3-8,19,27H,2,9-18H2,1H3
InChIKeyWLCGZUGGELMOHT-UHFFFAOYSA-N
XLogP2.66
TPSA83.31 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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
N-cyclohexyl-2-(2-morpholin-4-yl-4-oxochromen-8-yl)oxyacetamide
CID 21460116
8-methyl-2-morpholin-4-ylchromen-4-one
CID 10083230
10-[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]decan-1-ol
CID 19894566
8-[1-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]dibenzothiophen-4-yl]-2-morpholin-4-ylchromen-4-one
CID 25169995
8-(2-morpholin-4-ylethoxy)-4-propan-2-yl-1,3-benzoxazin-2-one
CID 142239586
N-[2-ethoxy-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide
CID 53324426
1-[2-(8-methyl-2-morpholin-4-yl-4-oxochromen-7-yl)oxyethyl]piperidine-3-carboxylic acid
CID 21460187
8-methyl-2-morpholin-4-yl-7-(pyridin-3-ylmethoxy)chromen-4-one
CID 15650862
8-[(3,5-dimethoxyphenyl)methylamino]-2-morpholin-4-ylpyrano[2,3-c]pyridin-4-one
CID 134809845
8-(2-methylphenyl)-2-morpholin-4-ylchromen-4-one
CID 23586698

Frequently Asked Questions

What is the IUPAC name of 8-[2-[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]ethoxy]-2-morpholin-4-ylchromen-4-one?
The IUPAC name of 8-[2-[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]ethoxy]-2-morpholin-4-ylchromen-4-one (CID 21460220) is 8-[2-[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]ethoxy]-2-morpholin-4-ylchromen-4-one.
What is the SMILES notation for 8-[2-[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]ethoxy]-2-morpholin-4-ylchromen-4-one?
The canonical SMILES for 8-[2-[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]ethoxy]-2-morpholin-4-ylchromen-4-one is CCNc1cccnc1N1CCN(CCOc2cccc3c(=O)cc(N4CCOCC4)oc23)CC1.
What is the InChIKey of 8-[2-[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]ethoxy]-2-morpholin-4-ylchromen-4-one?
The InChIKey is WLCGZUGGELMOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O4/c1-2-27-21-6-4-8-28-26(21)31-11-9-29(10-12-31)13-18-34-23-7-3-5-20-22(32)19-24(35-25(20)23)30-14-16-33-17-15-30/h3-8,19,27H,2,9-18H2,1H3.
What are the key properties of 8-[2-[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]ethoxy]-2-morpholin-4-ylchromen-4-one?
8-[2-[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]ethoxy]-2-morpholin-4-ylchromen-4-one has a molecular weight of 479.58 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]ethoxy]-2-morpholin-4-ylchromen-4-one is sourced from PubChem (CID 21460220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).