5-amino-6,8-difluoro-2-[3-fluoro-4-(6-morpholin-4-ylhexylamino)phenyl]chromen-4-one

C25H28F3N3O3 — CID 19434912

IUPAC5-amino-6,8-difluoro-2-[3-fluoro-4-(6-morpholin-4-ylhexylamino)phenyl]chromen-4-one
SMILESNc1c(F)cc(F)c2oc(-c3ccc(NCCCCCCN4CCOCC4)c(F)c3)cc(=O)c12
InChIInChI=1S/C25H28F3N3O3/c26-17-13-16(22-15-21(32)23-24(29)18(27)14-19(28)25(23)34-22)5-6-20(17)30-7-3-1-2-4-8-31-9-11-33-12-10-31/h5-6,13-15,30H,1-4,7-12,29H2
InChIKeyIQLZHYPMOVBCFX-UHFFFAOYSA-N
MW475.51 g/mol
LogP4.76
Rot. Bonds9

About 5-amino-6,8-difluoro-2-[3-fluoro-4-(6-morpholin-4-ylhexylamino)phenyl]chromen-4-one

5-amino-6,8-difluoro-2-[3-fluoro-4-(6-morpholin-4-ylhexylamino)phenyl]chromen-4-one (PubChem CID 19434912) has the molecular formula C25H28F3N3O3 and a molecular weight of 475.51 g/mol. Its IUPAC name is 5-amino-6,8-difluoro-2-[3-fluoro-4-(6-morpholin-4-ylhexylamino)phenyl]chromen-4-one.

Molecular Properties

Compound Name5-amino-6,8-difluoro-2-[3-fluoro-4-(6-morpholin-4-ylhexylamino)phenyl]chromen-4-one
PubChem CID19434912
Molecular FormulaC25H28F3N3O3
Molecular Weight475.51 g/mol
Exact Mass475.21
IUPAC Name5-amino-6,8-difluoro-2-[3-fluoro-4-(6-morpholin-4-ylhexylamino)phenyl]chromen-4-one
SMILESNc1c(F)cc(F)c2oc(-c3ccc(NCCCCCCN4CCOCC4)c(F)c3)cc(=O)c12
InChIInChI=1S/C25H28F3N3O3/c26-17-13-16(22-15-21(32)23-24(29)18(27)14-19(28)25(23)34-22)5-6-20(17)30-7-3-1-2-4-8-31-9-11-33-12-10-31/h5-6,13-15,30H,1-4,7-12,29H2
InChIKeyIQLZHYPMOVBCFX-UHFFFAOYSA-N
XLogP4.76
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.51
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-[2-(dipropylamino)ethoxy]-1,3-difluoro-10H-acridin-9-one
CID 155511816
3-[2-(dipropylamino)ethoxy]-6-(trifluoromethyl)-10H-acridin-9-one
CID 155526745
6-[2-[bis(3,3,3-trifluoropropyl)amino]ethoxy]-1,3-difluoro-10H-acridin-9-one
CID 155530530
7-[2-(dipropylamino)ethoxy]-1-fluoro-3-methoxy-10H-acridin-9-one
CID 155531223
6-[3-(dipropylamino)propoxy]-1,3-difluoro-10H-acridin-9-one
CID 155546445
9H-Xanthen-9-one, 1-((2-(diethylamino)ethyl)amino)-4-(hydroxymethyl)-
CID 296314
5-Amino-2-(4-aminophenyl)-6,8-difluoro-4H-1-benzopyran-4-one
CID 9817398
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-4H-1-benzopyran-4-one
CID 10267124
5-Amino-2-[4-(methylamino)phenyl]chromen-4-one
CID 10333138
5-Amino-4'-dimethylaminoflavone
CID 10564703
5-Amino-2-[4-(propylamino)phenyl]chromen-4-one
CID 10589883
5-Amino-2-(4-amino-3-fluorophenyl)-7-[(dimethylamino)methyl]-6,8-difluorochromen-4-one
CID 10690070

Frequently Asked Questions

What is the IUPAC name of 5-amino-6,8-difluoro-2-[3-fluoro-4-(6-morpholin-4-ylhexylamino)phenyl]chromen-4-one?
The IUPAC name of 5-amino-6,8-difluoro-2-[3-fluoro-4-(6-morpholin-4-ylhexylamino)phenyl]chromen-4-one (CID 19434912) is 5-amino-6,8-difluoro-2-[3-fluoro-4-(6-morpholin-4-ylhexylamino)phenyl]chromen-4-one.
What is the SMILES notation for 5-amino-6,8-difluoro-2-[3-fluoro-4-(6-morpholin-4-ylhexylamino)phenyl]chromen-4-one?
The canonical SMILES for 5-amino-6,8-difluoro-2-[3-fluoro-4-(6-morpholin-4-ylhexylamino)phenyl]chromen-4-one is Nc1c(F)cc(F)c2oc(-c3ccc(NCCCCCCN4CCOCC4)c(F)c3)cc(=O)c12.
What is the InChIKey of 5-amino-6,8-difluoro-2-[3-fluoro-4-(6-morpholin-4-ylhexylamino)phenyl]chromen-4-one?
The InChIKey is IQLZHYPMOVBCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N3O3/c26-17-13-16(22-15-21(32)23-24(29)18(27)14-19(28)25(23)34-22)5-6-20(17)30-7-3-1-2-4-8-31-9-11-33-12-10-31/h5-6,13-15,30H,1-4,7-12,29H2.
What are the key properties of 5-amino-6,8-difluoro-2-[3-fluoro-4-(6-morpholin-4-ylhexylamino)phenyl]chromen-4-one?
5-amino-6,8-difluoro-2-[3-fluoro-4-(6-morpholin-4-ylhexylamino)phenyl]chromen-4-one has a molecular weight of 475.51 g/mol, XLogP of 4.76, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6,8-difluoro-2-[3-fluoro-4-(6-morpholin-4-ylhexylamino)phenyl]chromen-4-one is sourced from PubChem (CID 19434912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).