7-nitro-2,3,4,10-tetrahydro-1H-acridin-9-one

C13H12N2O3 — CID 6324703

IUPAC7-nitro-2,3,4,10-tetrahydro-1H-acridin-9-one
SMILESO=c1c2c([nH]c3ccc([N+](=O)[O-])cc13)CCCC2
InChIInChI=1S/C13H12N2O3/c16-13-9-3-1-2-4-11(9)14-12-6-5-8(15(17)18)7-10(12)13/h5-7H,1-4H2,(H,14,16)
InChIKeyBOULSGQSNUDFEB-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.32
Rot. Bonds1

About 7-nitro-2,3,4,10-tetrahydro-1H-acridin-9-one

7-nitro-2,3,4,10-tetrahydro-1H-acridin-9-one (PubChem CID 6324703) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 7-nitro-2,3,4,10-tetrahydro-1H-acridin-9-one.

Molecular Properties

Compound Name7-nitro-2,3,4,10-tetrahydro-1H-acridin-9-one
PubChem CID6324703
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name7-nitro-2,3,4,10-tetrahydro-1H-acridin-9-one
SMILESO=c1c2c([nH]c3ccc([N+](=O)[O-])cc13)CCCC2
InChIInChI=1S/C13H12N2O3/c16-13-9-3-1-2-4-11(9)14-12-6-5-8(15(17)18)7-10(12)13/h5-7H,1-4H2,(H,14,16)
InChIKeyBOULSGQSNUDFEB-UHFFFAOYSA-N
XLogP2.32
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-nitro-2,3,4,10-tetrahydro-1H-acridin-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

7-nitro-2,3,4,9-tetrahydro-1H-carbazole
CID 15621612
2-ethyl-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one
CID 63351442
7-[4-(trifluoromethyl)phenyl]-2,3,4,10-tetrahydro-1H-acridin-9-one
CID 53362611
7-tert-butyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one
CID 58759349
(4-nitrophenyl)methyl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 50887965
2-cyclopentyl-8-nitro-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 59316072
6-nitro-3-phenyl-2,3,4,9-tetrahydro-1H-carbazole
CID 20568388
6-nitro-2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 68823981
9-nitro-3,6-dihydro-2H-[1,4]dioxino[2,3-b]acridin-11-one
CID 11695086
3,8-dinitro-11,12-dihydroindolo[2,3-a]carbazole
CID 11653124
7-(4-chlorophenoxy)-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one
CID 172712083
2-nitro-10H-acridin-9-one;sulfuryl dichloride
CID 159861980

Frequently Asked Questions

What is the IUPAC name of 7-nitro-2,3,4,10-tetrahydro-1H-acridin-9-one?
The IUPAC name of 7-nitro-2,3,4,10-tetrahydro-1H-acridin-9-one (CID 6324703) is 7-nitro-2,3,4,10-tetrahydro-1H-acridin-9-one.
What is the SMILES notation for 7-nitro-2,3,4,10-tetrahydro-1H-acridin-9-one?
The canonical SMILES for 7-nitro-2,3,4,10-tetrahydro-1H-acridin-9-one is O=c1c2c([nH]c3ccc([N+](=O)[O-])cc13)CCCC2.
What is the InChIKey of 7-nitro-2,3,4,10-tetrahydro-1H-acridin-9-one?
The InChIKey is BOULSGQSNUDFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c16-13-9-3-1-2-4-11(9)14-12-6-5-8(15(17)18)7-10(12)13/h5-7H,1-4H2,(H,14,16).
What are the key properties of 7-nitro-2,3,4,10-tetrahydro-1H-acridin-9-one?
7-nitro-2,3,4,10-tetrahydro-1H-acridin-9-one has a molecular weight of 244.25 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nitro-2,3,4,10-tetrahydro-1H-acridin-9-one is sourced from PubChem (CID 6324703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).