4-chloro-1,3-difluoro-10-methyl-9-oxoacridine-2-carboxamide

C15H9ClF2N2O2 — CID 42623045

IUPAC4-chloro-1,3-difluoro-10-methyl-9-oxoacridine-2-carboxamide
SMILESCn1c2ccccc2c(=O)c2c(F)c(C(N)=O)c(F)c(Cl)c21
InChIInChI=1S/C15H9ClF2N2O2/c1-20-7-5-3-2-4-6(7)14(21)9-11(17)8(15(19)22)12(18)10(16)13(9)20/h2-5H,1H3,(H2,19,22)
InChIKeySPFZVDUVWWJMBR-UHFFFAOYSA-N
MW322.70 g/mol
LogP2.72
Rot. Bonds1

About 4-chloro-1,3-difluoro-10-methyl-9-oxoacridine-2-carboxamide

4-chloro-1,3-difluoro-10-methyl-9-oxoacridine-2-carboxamide (PubChem CID 42623045) has the molecular formula C15H9ClF2N2O2 and a molecular weight of 322.70 g/mol. Its IUPAC name is 4-chloro-1,3-difluoro-10-methyl-9-oxoacridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-1,3-difluoro-10-methyl-9-oxoacridine-2-carboxamide
PubChem CID42623045
Molecular FormulaC15H9ClF2N2O2
Molecular Weight322.70 g/mol
Exact Mass322.03
IUPAC Name4-chloro-1,3-difluoro-10-methyl-9-oxoacridine-2-carboxamide
SMILESCn1c2ccccc2c(=O)c2c(F)c(C(N)=O)c(F)c(Cl)c21
InChIInChI=1S/C15H9ClF2N2O2/c1-20-7-5-3-2-4-6(7)14(21)9-11(17)8(15(19)22)12(18)10(16)13(9)20/h2-5H,1H3,(H2,19,22)
InChIKeySPFZVDUVWWJMBR-UHFFFAOYSA-N
XLogP2.72
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.70
LogP ≤ 52.72
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 4-chloro-1,3-difluoro-10-methyl-9-oxoacridine-2-carboxamide?
The IUPAC name of 4-chloro-1,3-difluoro-10-methyl-9-oxoacridine-2-carboxamide (CID 42623045) is 4-chloro-1,3-difluoro-10-methyl-9-oxoacridine-2-carboxamide.
What is the SMILES notation for 4-chloro-1,3-difluoro-10-methyl-9-oxoacridine-2-carboxamide?
The canonical SMILES for 4-chloro-1,3-difluoro-10-methyl-9-oxoacridine-2-carboxamide is Cn1c2ccccc2c(=O)c2c(F)c(C(N)=O)c(F)c(Cl)c21.
What is the InChIKey of 4-chloro-1,3-difluoro-10-methyl-9-oxoacridine-2-carboxamide?
The InChIKey is SPFZVDUVWWJMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF2N2O2/c1-20-7-5-3-2-4-6(7)14(21)9-11(17)8(15(19)22)12(18)10(16)13(9)20/h2-5H,1H3,(H2,19,22).
What are the key properties of 4-chloro-1,3-difluoro-10-methyl-9-oxoacridine-2-carboxamide?
4-chloro-1,3-difluoro-10-methyl-9-oxoacridine-2-carboxamide has a molecular weight of 322.70 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,3-difluoro-10-methyl-9-oxoacridine-2-carboxamide is sourced from PubChem (CID 42623045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).