2-(4-methylpiperazin-1-yl)-N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]acetamide

C33H34N4O4 — CID 59335360

IUPAC2-(4-methylpiperazin-1-yl)-N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]acetamide
SMILESCN1CCN(CC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc34)c3c2-c2ccccc2C3)CC1
InChIInChI=1S/C33H34N4O4/c1-35-11-13-36(14-12-35)21-30(39)34-28-10-9-24(27-19-22-5-2-3-6-23(22)32(27)28)25-7-4-8-26-29(38)20-31(41-33(25)26)37-15-17-40-18-16-37/h2-10,20H,11-19,21H2,1H3,(H,34,39)
InChIKeyPSRWJFJHHXLFSB-UHFFFAOYSA-N
MW550.66 g/mol
LogP4.05
Rot. Bonds5

About 2-(4-methylpiperazin-1-yl)-N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]acetamide

2-(4-methylpiperazin-1-yl)-N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]acetamide (PubChem CID 59335360) has the molecular formula C33H34N4O4 and a molecular weight of 550.66 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]acetamide
PubChem CID59335360
Molecular FormulaC33H34N4O4
Molecular Weight550.66 g/mol
Exact Mass550.26
IUPAC Name2-(4-methylpiperazin-1-yl)-N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]acetamide
SMILESCN1CCN(CC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc34)c3c2-c2ccccc2C3)CC1
InChIInChI=1S/C33H34N4O4/c1-35-11-13-36(14-12-35)21-30(39)34-28-10-9-24(27-19-22-5-2-3-6-23(22)32(27)28)25-7-4-8-26-29(38)20-31(41-33(25)26)37-15-17-40-18-16-37/h2-10,20H,11-19,21H2,1H3,(H,34,39)
InChIKeyPSRWJFJHHXLFSB-UHFFFAOYSA-N
XLogP4.05
TPSA78.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.66
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(azepan-1-yl)-N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]acetamide
CID 59335368
2-(4-acetylpiperidin-1-yl)-N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]acetamide
CID 59335367
N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]-2-(3-morpholin-4-ylpropoxy)acetamide
CID 59335364
8-(4-methoxy-9H-fluoren-1-yl)-2-morpholin-4-ylchromen-4-one
CID 59335353
N-[2-ethoxy-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide
CID 53324426
3-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]propanamide
CID 71819013
N-[2-(2-methylpropoxy)-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide
CID 53319118
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]propanamide
CID 71818872
2-chloro-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]acetamide
CID 59752259
N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]-3-(3-morpholin-4-ylpropylamino)propanamide
CID 71819014
3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]propanamide
CID 71818726
2-(2-hydroxyethylamino)-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]acetamide
CID 71817380

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]acetamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]acetamide (CID 59335360) is 2-(4-methylpiperazin-1-yl)-N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]acetamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]acetamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]acetamide is CN1CCN(CC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc34)c3c2-c2ccccc2C3)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]acetamide?
The InChIKey is PSRWJFJHHXLFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N4O4/c1-35-11-13-36(14-12-35)21-30(39)34-28-10-9-24(27-19-22-5-2-3-6-23(22)32(27)28)25-7-4-8-26-29(38)20-31(41-33(25)26)37-15-17-40-18-16-37/h2-10,20H,11-19,21H2,1H3,(H,34,39).
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]acetamide?
2-(4-methylpiperazin-1-yl)-N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]acetamide has a molecular weight of 550.66 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]acetamide is sourced from PubChem (CID 59335360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).