5-[2-(diethylamino)ethoxy]-4-methoxy-1-nitro-2-propoxyfluoren-9-one

C23H28N2O6 — CID 19594819

IUPAC5-[2-(diethylamino)ethoxy]-4-methoxy-1-nitro-2-propoxyfluoren-9-one
SMILESCCCOc1cc(OC)c2c(c1[N+](=O)[O-])C(=O)c1cccc(OCCN(CC)CC)c1-2
InChIInChI=1S/C23H28N2O6/c1-5-12-30-18-14-17(29-4)20-19-15(23(26)21(20)22(18)25(27)28)9-8-10-16(19)31-13-11-24(6-2)7-3/h8-10,14H,5-7,11-13H2,1-4H3
InChIKeyGNPZMTMJWDUVSB-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.32
Rot. Bonds11

About 5-[2-(diethylamino)ethoxy]-4-methoxy-1-nitro-2-propoxyfluoren-9-one

5-[2-(diethylamino)ethoxy]-4-methoxy-1-nitro-2-propoxyfluoren-9-one (PubChem CID 19594819) has the molecular formula C23H28N2O6 and a molecular weight of 428.49 g/mol. Its IUPAC name is 5-[2-(diethylamino)ethoxy]-4-methoxy-1-nitro-2-propoxyfluoren-9-one.

Molecular Properties

Compound Name5-[2-(diethylamino)ethoxy]-4-methoxy-1-nitro-2-propoxyfluoren-9-one
PubChem CID19594819
Molecular FormulaC23H28N2O6
Molecular Weight428.49 g/mol
Exact Mass428.19
IUPAC Name5-[2-(diethylamino)ethoxy]-4-methoxy-1-nitro-2-propoxyfluoren-9-one
SMILESCCCOc1cc(OC)c2c(c1[N+](=O)[O-])C(=O)c1cccc(OCCN(CC)CC)c1-2
InChIInChI=1S/C23H28N2O6/c1-5-12-30-18-14-17(29-4)20-19-15(23(26)21(20)22(18)25(27)28)9-8-10-16(19)31-13-11-24(6-2)7-3/h8-10,14H,5-7,11-13H2,1-4H3
InChIKeyGNPZMTMJWDUVSB-UHFFFAOYSA-N
XLogP4.32
TPSA91.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[2-(diethylamino)ethoxy]-4-methoxy-1-nitro-2-propoxyfluoren-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,5-bis[2-(diethylamino)ethoxy]-4-propoxyfluoren-9-one
CID 19594796
1-amino-2,5-bis[2-(diethylamino)ethoxy]-4-propoxyfluoren-9-one
CID 19594651
N,N-diethyl-2-(3-methoxy-2-nitrophenoxy)ethanamine
CID 142721434
N,N-diethyl-2-(3-fluoro-2-nitrophenoxy)ethanamine
CID 55101038
1,5-bis[3-(diethylamino)propoxy]-4-ethoxyfluoren-9-one
CID 19594830
4-butoxy-5-[2-(diethylamino)ethoxy]-2-ethoxyfluoren-9-one
CID 19594662
3,5-bis[2-(diethylamino)ethoxy]fluoren-9-one
CID 19594761
4-butoxy-2,5-bis[3-(diethylamino)propoxy]fluoren-9-one
CID 19594888
N,N-diethyl-2-(4-methoxy-3-nitrophenoxy)ethanamine
CID 59427849
1-amino-4-methoxy-2,5-bis(2-piperidin-1-ylethoxy)fluoren-9-one
CID 70191890
N-[2-[2-(diethylamino)ethoxy]phenyl]-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 55527950
3,5-bis[4-(diethylamino)butoxy]fluoren-9-one
CID 19594755

Frequently Asked Questions

What is the IUPAC name of 5-[2-(diethylamino)ethoxy]-4-methoxy-1-nitro-2-propoxyfluoren-9-one?
The IUPAC name of 5-[2-(diethylamino)ethoxy]-4-methoxy-1-nitro-2-propoxyfluoren-9-one (CID 19594819) is 5-[2-(diethylamino)ethoxy]-4-methoxy-1-nitro-2-propoxyfluoren-9-one.
What is the SMILES notation for 5-[2-(diethylamino)ethoxy]-4-methoxy-1-nitro-2-propoxyfluoren-9-one?
The canonical SMILES for 5-[2-(diethylamino)ethoxy]-4-methoxy-1-nitro-2-propoxyfluoren-9-one is CCCOc1cc(OC)c2c(c1[N+](=O)[O-])C(=O)c1cccc(OCCN(CC)CC)c1-2.
What is the InChIKey of 5-[2-(diethylamino)ethoxy]-4-methoxy-1-nitro-2-propoxyfluoren-9-one?
The InChIKey is GNPZMTMJWDUVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O6/c1-5-12-30-18-14-17(29-4)20-19-15(23(26)21(20)22(18)25(27)28)9-8-10-16(19)31-13-11-24(6-2)7-3/h8-10,14H,5-7,11-13H2,1-4H3.
What are the key properties of 5-[2-(diethylamino)ethoxy]-4-methoxy-1-nitro-2-propoxyfluoren-9-one?
5-[2-(diethylamino)ethoxy]-4-methoxy-1-nitro-2-propoxyfluoren-9-one has a molecular weight of 428.49 g/mol, XLogP of 4.32, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(diethylamino)ethoxy]-4-methoxy-1-nitro-2-propoxyfluoren-9-one is sourced from PubChem (CID 19594819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).