bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-[3-(4-methylpiperazin-1-yl)propoxy]chromen-2-one);bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-morpholin-4-ylpropoxy)chromen-2-one);bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-piperazin-1-ylpropoxy)chromen-2-one);8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-piperidin-1-ylpropoxy)chromen-2-one;bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-pyrrolidin-1-ylpropoxy)chromen-2-one)

C282H343N13O38 — CID 159792628

IUPACbis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-[3-(4-methylpiperazin-1-yl)propoxy]chromen-2-one);bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-morpholin-4-ylpropoxy)chromen-2-one);bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-piperazin-1-ylpropoxy)chromen-2-one);8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-piperidin-1-ylpropoxy)chromen-2-one;bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-pyrrolidin-1-ylpropoxy)chromen-2-one)
SMILESCC(C)=CCc1cc(C(=O)Cc2cc3ccc(OCCCN4CCCC4)c(C)c3oc2=O)ccc1C.CC(C)=CCc1cc(C(=O)Cc2cc3ccc(OCCCN4CCCC4)c(C)c3oc2=O)ccc1C.CC(C)=CCc1cc(C(=O)Cc2cc3ccc(OCCCN4CCCCC4)c(C)c3oc2=O)ccc1C.CC(C)=CCc1cc(C(=O)Cc2cc3ccc(OCCCN4CCN(C)CC4)c(C)c3oc2=O)ccc1C.CC(C)=CCc1cc(C(=O)Cc2cc3ccc(OCCCN4CCN(C)CC4)c(C)c3oc2=O)ccc1C.CC(C)=CCc1cc(C(=O)Cc2cc3ccc(OCCCN4CCNCC4)c(C)c3oc2=O)ccc1C.CC(C)=CCc1cc(C(=O)Cc2cc3ccc(OCCCN4CCNCC4)c(C)c3oc2=O)ccc1C.CC(C)=CCc1cc(C(=O)Cc2cc3ccc(OCCCN4CCOCC4)c(C)c3oc2=O)ccc1C.CC(C)=CCc1cc(C(=O)Cc2cc3ccc(OCCCN4CCOCC4)c(C)c3oc2=O)ccc1C
InChIInChI=1S/2C32H40N2O4.C32H39NO4.2C31H38N2O4.2C31H37NO5.2C31H37NO4/c2*1-22(2)7-9-25-19-26(10-8-23(25)3)29(35)21-28-20-27-11-12-30(24(4)31(27)38-32(28)36)37-18-6-13-34-16-14-33(5)15-17-34;1-22(2)9-11-25-19-26(12-10-23(25)3)29(34)21-28-20-27-13-14-30(24(4)31(27)37-32(28)35)36-18-8-17-33-15-6-5-7-16-33;2*1-21(2)6-8-24-18-25(9-7-22(24)3)28(34)20-27-19-26-10-11-29(23(4)30(26)37-31(27)35)36-17-5-14-33-15-12-32-13-16-33;2*1-21(2)6-8-24-18-25(9-7-22(24)3)28(33)20-27-19-26-10-11-29(23(4)30(26)37-31(27)34)36-15-5-12-32-13-16-35-17-14-32;2*1-21(2)8-10-24-18-25(11-9-22(24)3)28(33)20-27-19-26-12-13-29(23(4)30(26)36-31(27)34)35-17-7-16-32-14-5-6-15-32/h2*7-8,10-12,19-20H,6,9,13-18,21H2,1-5H3;9-10,12-14,19-20H,5-8,11,15-18,21H2,1-4H3;2*6-7,9-11,18-19,32H,5,8,12-17,20H2,1-4H3;2*6-7,9-11,18-19H,5,8,12-17,20H2,1-4H3;2*8-9,11-13,18-19H,5-7,10,14-17,20H2,1-4H3
InChIKeyNITHXUZUPHJGPH-UHFFFAOYSA-N
MW4522.90 g/mol
LogP50.66
Rot. Bonds90

About bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-[3-(4-methylpiperazin-1-yl)propoxy]chromen-2-one);bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-morpholin-4-ylpropoxy)chromen-2-one);bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-piperazin-1-ylpropoxy)chromen-2-one);8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-piperidin-1-ylpropoxy)chromen-2-one;bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-pyrrolidin-1-ylpropoxy)chromen-2-one)

bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-[3-(4-methylpiperazin-1-yl)propoxy]chromen-2-one);bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-morpholin-4-ylpropoxy)chromen-2-one);bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-piperazin-1-ylpropoxy)chromen-2-one);8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-piperidin-1-ylpropoxy)chromen-2-one;bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-pyrrolidin-1-ylpropoxy)chromen-2-one) (PubChem CID 159792628) has the molecular formula C282H343N13O38 and a molecular weight of 4522.90 g/mol. Its IUPAC name is bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-[3-(4-methylpiperazin-1-yl)propoxy]chromen-2-one);bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-morpholin-4-ylpropoxy)chromen-2-one);bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-piperazin-1-ylpropoxy)chromen-2-one);8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-piperidin-1-ylpropoxy)chromen-2-one;bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-pyrrolidin-1-ylpropoxy)chromen-2-one).

Molecular Properties

Compound Namebis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-[3-(4-methylpiperazin-1-yl)propoxy]chromen-2-one);bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-morpholin-4-ylpropoxy)chromen-2-one);bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-piperazin-1-ylpropoxy)chromen-2-one);8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-piperidin-1-ylpropoxy)chromen-2-one;bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-pyrrolidin-1-ylpropoxy)chromen-2-one)
PubChem CID159792628
Molecular FormulaC282H343N13O38
Molecular Weight4522.90 g/mol
Exact Mass4519.53
IUPAC Namebis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-[3-(4-methylpiperazin-1-yl)propoxy]chromen-2-one);bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-morpholin-4-ylpropoxy)chromen-2-one);bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-piperazin-1-ylpropoxy)chromen-2-one);8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-piperidin-1-ylpropoxy)chromen-2-one;bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-pyrrolidin-1-ylpropoxy)chromen-2-one)
SMILESCC(C)=CCc1cc(C(=O)Cc2cc3ccc(OCCCN4CCCC4)c(C)c3oc2=O)ccc1C.CC(C)=CCc1cc(C(=O)Cc2cc3ccc(OCCCN4CCCC4)c(C)c3oc2=O)ccc1C.CC(C)=CCc1cc(C(=O)Cc2cc3ccc(OCCCN4CCCCC4)c(C)c3oc2=O)ccc1C.CC(C)=CCc1cc(C(=O)Cc2cc3ccc(OCCCN4CCN(C)CC4)c(C)c3oc2=O)ccc1C.CC(C)=CCc1cc(C(=O)Cc2cc3ccc(OCCCN4CCN(C)CC4)c(C)c3oc2=O)ccc1C.CC(C)=CCc1cc(C(=O)Cc2cc3ccc(OCCCN4CCNCC4)c(C)c3oc2=O)ccc1C.CC(C)=CCc1cc(C(=O)Cc2cc3ccc(OCCCN4CCNCC4)c(C)c3oc2=O)ccc1C.CC(C)=CCc1cc(C(=O)Cc2cc3ccc(OCCCN4CCOCC4)c(C)c3oc2=O)ccc1C.CC(C)=CCc1cc(C(=O)Cc2cc3ccc(OCCCN4CCOCC4)c(C)c3oc2=O)ccc1C
InChIInChI=1S/2C32H40N2O4.C32H39NO4.2C31H38N2O4.2C31H37NO5.2C31H37NO4/c2*1-22(2)7-9-25-19-26(10-8-23(25)3)29(35)21-28-20-27-11-12-30(24(4)31(27)38-32(28)36)37-18-6-13-34-16-14-33(5)15-17-34;1-22(2)9-11-25-19-26(12-10-23(25)3)29(34)21-28-20-27-13-14-30(24(4)31(27)37-32(28)35)36-18-8-17-33-15-6-5-7-16-33;2*1-21(2)6-8-24-18-25(9-7-22(24)3)28(34)20-27-19-26-10-11-29(23(4)30(26)37-31(27)35)36-17-5-14-33-15-12-32-13-16-33;2*1-21(2)6-8-24-18-25(9-7-22(24)3)28(33)20-27-19-26-10-11-29(23(4)30(26)37-31(27)34)36-15-5-12-32-13-16-35-17-14-32;2*1-21(2)8-10-24-18-25(11-9-22(24)3)28(33)20-27-19-26-12-13-29(23(4)30(26)36-31(27)34)35-17-7-16-32-14-5-6-15-32/h2*7-8,10-12,19-20H,6,9,13-18,21H2,1-5H3;9-10,12-14,19-20H,5-8,11,15-18,21H2,1-4H3;2*6-7,9-11,18-19,32H,5,8,12-17,20H2,1-4H3;2*6-7,9-11,18-19H,5,8,12-17,20H2,1-4H3;2*8-9,11-13,18-19H,5-7,10,14-17,20H2,1-4H3
InChIKeyNITHXUZUPHJGPH-UHFFFAOYSA-N
XLogP50.66
TPSA586.75 Ų
H-Bond Donors2
H-Bond Acceptors51
Rotatable Bonds90
Heavy Atoms333
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004522.90
LogP ≤ 550.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1051

Analyze bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-[3-(4-methylpiperazin-1-yl)propoxy]chromen-2-one);bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-morpholin-4-ylpropoxy)chromen-2-one);bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-piperazin-1-ylpropoxy)chromen-2-one);8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-piperidin-1-ylpropoxy)chromen-2-one;bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-pyrrolidin-1-ylpropoxy)chromen-2-one) with MolForge

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Related Compounds

8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-piperazin-1-ylpropoxy)chromen-2-one
CID 159745930
3-[2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-8-methyl-7-[3-(2-methylpropylamino)propoxy]chromen-2-one
CID 162237167
4-hydroxy-3-(3-methylbut-2-enyl)benzaldehyde;8-methyl-3-(methylamino)-7-(3-piperidin-1-ylpropoxy)chromen-2-one
CID 144843283
[4-[2-[7-[[(4S,7R,7aS)-6,6,7-trimethyl-2-oxo-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-8-methyl-2-oxochromen-3-yl]acetyl]-2-(3-methylbut-2-enyl)phenyl] acetate
CID 123221005
4-methyl-3-(3-piperidin-1-ylpropoxy)benzoic acid
CID 82165926
4-methoxy-3-(3-methylbut-2-enyl)-N-[8-methyl-2-oxo-7-[3-(2-phenylpropan-2-ylamino)propoxy]chromen-3-yl]benzamide
CID 123712746
(1E,4E)-1,5-bis[3-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]penta-1,4-dien-3-one
CID 127035896
1-hydroxy-7-(hydroxymethyl)-2,8-bis(3-methylbut-2-enyl)-3,6-bis(6-morpholin-4-ylhexoxy)xanthen-9-one;1-hydroxy-7-(hydroxymethyl)-2,8-bis(3-methylbut-2-enyl)-3,6-bis(8-morpholin-4-yloctoxy)xanthen-9-one;1-hydroxy-7-(hydroxymethyl)-2,8-bis(3-methylbut-2-enyl)-3,6-bis(5-morpholin-4-ylpentoxy)xanthen-9-one;1-hydroxy-7-(hydroxymethyl)-2,8-bis(3-methylbut-2-enyl)-3,6-bis(3-morpholin-4-ylpropoxy)xanthen-9-one
CID 160647105
methyl 4-methoxy-3-(3-morpholin-4-ylpropoxy)benzoate
CID 22466648
8-acetyl-4-methyl-7-(2-morpholin-4-ylethoxy)chromen-2-one
CID 53304519
1-hydroxy-2,8-bis(3-methylbut-2-enyl)-3,6-bis(4-pyrrolidin-1-ylbutoxy)xanthen-9-one
CID 146429806
4-[4-(2,5-dimethylphenoxy)butyl]morpholine
CID 2245898

Frequently Asked Questions

What is the IUPAC name of bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-[3-(4-methylpiperazin-1-yl)propoxy]chromen-2-one);bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-morpholin-4-ylpropoxy)chromen-2-one);bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-piperazin-1-ylpropoxy)chromen-2-one);8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-piperidin-1-ylpropoxy)chromen-2-one;bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-pyrrolidin-1-ylpropoxy)chromen-2-one)?
The IUPAC name of bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-[3-(4-methylpiperazin-1-yl)propoxy]chromen-2-one);bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-morpholin-4-ylpropoxy)chromen-2-one);bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-piperazin-1-ylpropoxy)chromen-2-one);8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-piperidin-1-ylpropoxy)chromen-2-one;bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-pyrrolidin-1-ylpropoxy)chromen-2-one) (CID 159792628) is bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-[3-(4-methylpiperazin-1-yl)propoxy]chromen-2-one);bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-morpholin-4-ylpropoxy)chromen-2-one);bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-piperazin-1-ylpropoxy)chromen-2-one);8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-piperidin-1-ylpropoxy)chromen-2-one;bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-pyrrolidin-1-ylpropoxy)chromen-2-one).
What is the SMILES notation for bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-[3-(4-methylpiperazin-1-yl)propoxy]chromen-2-one);bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-morpholin-4-ylpropoxy)chromen-2-one);bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-piperazin-1-ylpropoxy)chromen-2-one);8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-piperidin-1-ylpropoxy)chromen-2-one;bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-pyrrolidin-1-ylpropoxy)chromen-2-one)?
The canonical SMILES for bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-[3-(4-methylpiperazin-1-yl)propoxy]chromen-2-one);bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-morpholin-4-ylpropoxy)chromen-2-one);bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-piperazin-1-ylpropoxy)chromen-2-one);8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-piperidin-1-ylpropoxy)chromen-2-one;bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-pyrrolidin-1-ylpropoxy)chromen-2-one) is CC(C)=CCc1cc(C(=O)Cc2cc3ccc(OCCCN4CCCC4)c(C)c3oc2=O)ccc1C.CC(C)=CCc1cc(C(=O)Cc2cc3ccc(OCCCN4CCCC4)c(C)c3oc2=O)ccc1C.CC(C)=CCc1cc(C(=O)Cc2cc3ccc(OCCCN4CCCCC4)c(C)c3oc2=O)ccc1C.CC(C)=CCc1cc(C(=O)Cc2cc3ccc(OCCCN4CCN(C)CC4)c(C)c3oc2=O)ccc1C.CC(C)=CCc1cc(C(=O)Cc2cc3ccc(OCCCN4CCN(C)CC4)c(C)c3oc2=O)ccc1C.CC(C)=CCc1cc(C(=O)Cc2cc3ccc(OCCCN4CCNCC4)c(C)c3oc2=O)ccc1C.CC(C)=CCc1cc(C(=O)Cc2cc3ccc(OCCCN4CCNCC4)c(C)c3oc2=O)ccc1C.CC(C)=CCc1cc(C(=O)Cc2cc3ccc(OCCCN4CCOCC4)c(C)c3oc2=O)ccc1C.CC(C)=CCc1cc(C(=O)Cc2cc3ccc(OCCCN4CCOCC4)c(C)c3oc2=O)ccc1C.
What is the InChIKey of bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-[3-(4-methylpiperazin-1-yl)propoxy]chromen-2-one);bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-morpholin-4-ylpropoxy)chromen-2-one);bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-piperazin-1-ylpropoxy)chromen-2-one);8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-piperidin-1-ylpropoxy)chromen-2-one;bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-pyrrolidin-1-ylpropoxy)chromen-2-one)?
The InChIKey is NITHXUZUPHJGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H40N2O4.C32H39NO4.2C31H38N2O4.2C31H37NO5.2C31H37NO4/c2*1-22(2)7-9-25-19-26(10-8-23(25)3)29(35)21-28-20-27-11-12-30(24(4)31(27)38-32(28)36)37-18-6-13-34-16-14-33(5)15-17-34;1-22(2)9-11-25-19-26(12-10-23(25)3)29(34)21-28-20-27-13-14-30(24(4)31(27)37-32(28)35)36-18-8-17-33-15-6-5-7-16-33;2*1-21(2)6-8-24-18-25(9-7-22(24)3)28(34)20-27-19-26-10-11-29(23(4)30(26)37-31(27)35)36-17-5-14-33-15-12-32-13-16-33;2*1-21(2)6-8-24-18-25(9-7-22(24)3)28(33)20-27-19-26-10-11-29(23(4)30(26)37-31(27)34)36-15-5-12-32-13-16-35-17-14-32;2*1-21(2)8-10-24-18-25(11-9-22(24)3)28(33)20-27-19-26-12-13-29(23(4)30(26)36-31(27)34)35-17-7-16-32-14-5-6-15-32/h2*7-8,10-12,19-20H,6,9,13-18,21H2,1-5H3;9-10,12-14,19-20H,5-8,11,15-18,21H2,1-4H3;2*6-7,9-11,18-19,32H,5,8,12-17,20H2,1-4H3;2*6-7,9-11,18-19H,5,8,12-17,20H2,1-4H3;2*8-9,11-13,18-19H,5-7,10,14-17,20H2,1-4H3.
What are the key properties of bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-[3-(4-methylpiperazin-1-yl)propoxy]chromen-2-one);bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-morpholin-4-ylpropoxy)chromen-2-one);bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-piperazin-1-ylpropoxy)chromen-2-one);8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-piperidin-1-ylpropoxy)chromen-2-one;bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-pyrrolidin-1-ylpropoxy)chromen-2-one)?
bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-[3-(4-methylpiperazin-1-yl)propoxy]chromen-2-one);bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-morpholin-4-ylpropoxy)chromen-2-one);bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-piperazin-1-ylpropoxy)chromen-2-one);8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-piperidin-1-ylpropoxy)chromen-2-one;bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-pyrrolidin-1-ylpropoxy)chromen-2-one) has a molecular weight of 4522.90 g/mol, XLogP of 50.66, 90 rotatable bonds, 2 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-[3-(4-methylpiperazin-1-yl)propoxy]chromen-2-one);bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-morpholin-4-ylpropoxy)chromen-2-one);bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-piperazin-1-ylpropoxy)chromen-2-one);8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-piperidin-1-ylpropoxy)chromen-2-one;bis(8-methyl-3-[2-[4-methyl-3-(3-methylbut-2-enyl)phenyl]-2-oxoethyl]-7-(3-pyrrolidin-1-ylpropoxy)chromen-2-one) is sourced from PubChem (CID 159792628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).