1,3-difluoro-6-hexoxy-10H-acridin-9-one

C19H19F2NO2 — CID 155534989

IUPAC1,3-difluoro-6-hexoxy-10H-acridin-9-one
SMILESCCCCCCOc1ccc2c(=O)c3c(F)cc(F)cc3[nH]c2c1
InChIInChI=1S/C19H19F2NO2/c1-2-3-4-5-8-24-13-6-7-14-16(11-13)22-17-10-12(20)9-15(21)18(17)19(14)23/h6-7,9-11H,2-5,8H2,1H3,(H,22,23)
InChIKeyWVUOIZGYWDUUAU-UHFFFAOYSA-N
MW331.36 g/mol
LogP4.92
Rot. Bonds6

About 1,3-difluoro-6-hexoxy-10H-acridin-9-one

1,3-difluoro-6-hexoxy-10H-acridin-9-one (PubChem CID 155534989) has the molecular formula C19H19F2NO2 and a molecular weight of 331.36 g/mol. Its IUPAC name is 1,3-difluoro-6-hexoxy-10H-acridin-9-one.

Molecular Properties

Compound Name1,3-difluoro-6-hexoxy-10H-acridin-9-one
PubChem CID155534989
Molecular FormulaC19H19F2NO2
Molecular Weight331.36 g/mol
Exact Mass331.14
IUPAC Name1,3-difluoro-6-hexoxy-10H-acridin-9-one
SMILESCCCCCCOc1ccc2c(=O)c3c(F)cc(F)cc3[nH]c2c1
InChIInChI=1S/C19H19F2NO2/c1-2-3-4-5-8-24-13-6-7-14-16(11-13)22-17-10-12(20)9-15(21)18(17)19(14)23/h6-7,9-11H,2-5,8H2,1H3,(H,22,23)
InChIKeyWVUOIZGYWDUUAU-UHFFFAOYSA-N
XLogP4.92
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-6-hexoxy-10H-acridin-9-one?
The IUPAC name of 1,3-difluoro-6-hexoxy-10H-acridin-9-one (CID 155534989) is 1,3-difluoro-6-hexoxy-10H-acridin-9-one.
What is the SMILES notation for 1,3-difluoro-6-hexoxy-10H-acridin-9-one?
The canonical SMILES for 1,3-difluoro-6-hexoxy-10H-acridin-9-one is CCCCCCOc1ccc2c(=O)c3c(F)cc(F)cc3[nH]c2c1.
What is the InChIKey of 1,3-difluoro-6-hexoxy-10H-acridin-9-one?
The InChIKey is WVUOIZGYWDUUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO2/c1-2-3-4-5-8-24-13-6-7-14-16(11-13)22-17-10-12(20)9-15(21)18(17)19(14)23/h6-7,9-11H,2-5,8H2,1H3,(H,22,23).
What are the key properties of 1,3-difluoro-6-hexoxy-10H-acridin-9-one?
1,3-difluoro-6-hexoxy-10H-acridin-9-one has a molecular weight of 331.36 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-6-hexoxy-10H-acridin-9-one is sourced from PubChem (CID 155534989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).