10-butyl-1,3,4-trifluoro-9-oxoacridine-2-carboxamide

C18H15F3N2O2 — CID 42623047

IUPAC10-butyl-1,3,4-trifluoro-9-oxoacridine-2-carboxamide
SMILESCCCCn1c2ccccc2c(=O)c2c(F)c(C(N)=O)c(F)c(F)c21
InChIInChI=1S/C18H15F3N2O2/c1-2-3-8-23-10-7-5-4-6-9(10)17(24)12-13(19)11(18(22)25)14(20)15(21)16(12)23/h4-7H,2-3,8H2,1H3,(H2,22,25)
InChIKeyGSVPZXXGGYCWQP-UHFFFAOYSA-N
MW348.32 g/mol
LogP3.47
Rot. Bonds4

About 10-butyl-1,3,4-trifluoro-9-oxoacridine-2-carboxamide

10-butyl-1,3,4-trifluoro-9-oxoacridine-2-carboxamide (PubChem CID 42623047) has the molecular formula C18H15F3N2O2 and a molecular weight of 348.32 g/mol. Its IUPAC name is 10-butyl-1,3,4-trifluoro-9-oxoacridine-2-carboxamide.

Molecular Properties

Compound Name10-butyl-1,3,4-trifluoro-9-oxoacridine-2-carboxamide
PubChem CID42623047
Molecular FormulaC18H15F3N2O2
Molecular Weight348.32 g/mol
Exact Mass348.11
IUPAC Name10-butyl-1,3,4-trifluoro-9-oxoacridine-2-carboxamide
SMILESCCCCn1c2ccccc2c(=O)c2c(F)c(C(N)=O)c(F)c(F)c21
InChIInChI=1S/C18H15F3N2O2/c1-2-3-8-23-10-7-5-4-6-9(10)17(24)12-13(19)11(18(22)25)14(20)15(21)16(12)23/h4-7H,2-3,8H2,1H3,(H2,22,25)
InChIKeyGSVPZXXGGYCWQP-UHFFFAOYSA-N
XLogP3.47
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', '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 10-butyl-1,3,4-trifluoro-9-oxoacridine-2-carboxamide?
The IUPAC name of 10-butyl-1,3,4-trifluoro-9-oxoacridine-2-carboxamide (CID 42623047) is 10-butyl-1,3,4-trifluoro-9-oxoacridine-2-carboxamide.
What is the SMILES notation for 10-butyl-1,3,4-trifluoro-9-oxoacridine-2-carboxamide?
The canonical SMILES for 10-butyl-1,3,4-trifluoro-9-oxoacridine-2-carboxamide is CCCCn1c2ccccc2c(=O)c2c(F)c(C(N)=O)c(F)c(F)c21.
What is the InChIKey of 10-butyl-1,3,4-trifluoro-9-oxoacridine-2-carboxamide?
The InChIKey is GSVPZXXGGYCWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O2/c1-2-3-8-23-10-7-5-4-6-9(10)17(24)12-13(19)11(18(22)25)14(20)15(21)16(12)23/h4-7H,2-3,8H2,1H3,(H2,22,25).
What are the key properties of 10-butyl-1,3,4-trifluoro-9-oxoacridine-2-carboxamide?
10-butyl-1,3,4-trifluoro-9-oxoacridine-2-carboxamide has a molecular weight of 348.32 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-butyl-1,3,4-trifluoro-9-oxoacridine-2-carboxamide is sourced from PubChem (CID 42623047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).