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

C34H35N3O4 — CID 59335368

IUPAC2-(azepan-1-yl)-N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]acetamide
SMILESO=C(CN1CCCCCC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)c2c1-c1ccccc1C2
InChIInChI=1S/C34H35N3O4/c38-30-21-32(37-16-18-40-19-17-37)41-34-26(10-7-11-27(30)34)25-12-13-29(33-24-9-4-3-8-23(24)20-28(25)33)35-31(39)22-36-14-5-1-2-6-15-36/h3-4,7-13,21H,1-2,5-6,14-20,22H2,(H,35,39)
InChIKeyULCOKRYNXOTSLX-UHFFFAOYSA-N
MW549.67 g/mol
LogP5.68
Rot. Bonds5

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

2-(azepan-1-yl)-N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]acetamide (PubChem CID 59335368) has the molecular formula C34H35N3O4 and a molecular weight of 549.67 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]acetamide
PubChem CID59335368
Molecular FormulaC34H35N3O4
Molecular Weight549.67 g/mol
Exact Mass549.26
IUPAC Name2-(azepan-1-yl)-N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]acetamide
SMILESO=C(CN1CCCCCC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)c2c1-c1ccccc1C2
InChIInChI=1S/C34H35N3O4/c38-30-21-32(37-16-18-40-19-17-37)41-34-26(10-7-11-27(30)34)25-12-13-29(33-24-9-4-3-8-23(24)20-28(25)33)35-31(39)22-36-14-5-1-2-6-15-36/h3-4,7-13,21H,1-2,5-6,14-20,22H2,(H,35,39)
InChIKeyULCOKRYNXOTSLX-UHFFFAOYSA-N
XLogP5.68
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.67
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methylpiperazin-1-yl)-N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]acetamide
CID 59335360
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
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-ethoxy-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide
CID 53324426
N-[2-(2-methylpropoxy)-4-(2-morpholin-4-yl-4-oxochromen-8-yl)phenyl]-2-morpholin-4-ylacetamide
CID 53319118
2-chloro-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]acetamide
CID 59752259
2-(2-hydroxyethylamino)-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]acetamide
CID 71817380
N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]-3-(3-morpholin-4-ylpropylamino)propanamide
CID 71819014
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]propanamide
CID 71818872
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

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]acetamide (CID 59335368) is 2-(azepan-1-yl)-N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]acetamide is O=C(CN1CCCCCC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)c2c1-c1ccccc1C2.
What is the InChIKey of 2-(azepan-1-yl)-N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]acetamide?
The InChIKey is ULCOKRYNXOTSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N3O4/c38-30-21-32(37-16-18-40-19-17-37)41-34-26(10-7-11-27(30)34)25-12-13-29(33-24-9-4-3-8-23(24)20-28(25)33)35-31(39)22-36-14-5-1-2-6-15-36/h3-4,7-13,21H,1-2,5-6,14-20,22H2,(H,35,39).
What are the key properties of 2-(azepan-1-yl)-N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]acetamide?
2-(azepan-1-yl)-N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]acetamide has a molecular weight of 549.67 g/mol, XLogP of 5.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-[1-(2-morpholin-4-yl-4-oxochromen-8-yl)-9H-fluoren-4-yl]acetamide is sourced from PubChem (CID 59335368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).