6-iodo-5-methyl-2,3,4,10-tetrahydro-1H-acridin-9-one

C14H14INO — CID 114257890

IUPAC6-iodo-5-methyl-2,3,4,10-tetrahydro-1H-acridin-9-one
SMILESCc1c(I)ccc2c(=O)c3c([nH]c12)CCCC3
InChIInChI=1S/C14H14INO/c1-8-11(15)7-6-10-13(8)16-12-5-3-2-4-9(12)14(10)17/h6-7H,2-5H2,1H3,(H,16,17)
InChIKeyXWRKBBNRCHHPQX-UHFFFAOYSA-N
MW339.18 g/mol
LogP3.32
Rot. Bonds

About 6-iodo-5-methyl-2,3,4,10-tetrahydro-1H-acridin-9-one

6-iodo-5-methyl-2,3,4,10-tetrahydro-1H-acridin-9-one (PubChem CID 114257890) has the molecular formula C14H14INO and a molecular weight of 339.18 g/mol. Its IUPAC name is 6-iodo-5-methyl-2,3,4,10-tetrahydro-1H-acridin-9-one.

Molecular Properties

Compound Name6-iodo-5-methyl-2,3,4,10-tetrahydro-1H-acridin-9-one
PubChem CID114257890
Molecular FormulaC14H14INO
Molecular Weight339.18 g/mol
Exact Mass339.01
IUPAC Name6-iodo-5-methyl-2,3,4,10-tetrahydro-1H-acridin-9-one
SMILESCc1c(I)ccc2c(=O)c3c([nH]c12)CCCC3
InChIInChI=1S/C14H14INO/c1-8-11(15)7-6-10-13(8)16-12-5-3-2-4-9(12)14(10)17/h6-7H,2-5H2,1H3,(H,16,17)
InChIKeyXWRKBBNRCHHPQX-UHFFFAOYSA-N
XLogP3.32
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-4-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one
CID 55202057
6-chloro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one
CID 61381864
5,6-dimethoxy-2,3,4,10-tetrahydro-1H-acridin-9-one
CID 53362374
5-bromo-2,3,4,10-tetrahydro-1H-acridin-9-one
CID 61382730
7-fluoro-8-methyl-2,3,4,9-tetrahydro-1H-carbazole
CID 139234350
5-fluoro-7-methyl-2,3,4,10-tetrahydro-1H-acridin-9-one
CID 61382722
7-chloro-6-methyl-1,3,4,5-tetrahydropyrano[4,3-b]quinolin-10-one
CID 106470873
7-fluoro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one
CID 61381863
5-(difluoromethoxy)-2,3,4,10-tetrahydro-1H-acridin-9-one
CID 61382776
4-(trifluoromethoxy)-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one
CID 63351701
3-methoxy-6,7,8,9,10,11-hexahydro-5H-cycloocta[b]quinolin-12-one
CID 53362916
7,8-dimethyl-1,2,3,4,5,6-hexahydroazepino[4,3-b]indole
CID 84622005

Frequently Asked Questions

What is the IUPAC name of 6-iodo-5-methyl-2,3,4,10-tetrahydro-1H-acridin-9-one?
The IUPAC name of 6-iodo-5-methyl-2,3,4,10-tetrahydro-1H-acridin-9-one (CID 114257890) is 6-iodo-5-methyl-2,3,4,10-tetrahydro-1H-acridin-9-one.
What is the SMILES notation for 6-iodo-5-methyl-2,3,4,10-tetrahydro-1H-acridin-9-one?
The canonical SMILES for 6-iodo-5-methyl-2,3,4,10-tetrahydro-1H-acridin-9-one is Cc1c(I)ccc2c(=O)c3c([nH]c12)CCCC3.
What is the InChIKey of 6-iodo-5-methyl-2,3,4,10-tetrahydro-1H-acridin-9-one?
The InChIKey is XWRKBBNRCHHPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14INO/c1-8-11(15)7-6-10-13(8)16-12-5-3-2-4-9(12)14(10)17/h6-7H,2-5H2,1H3,(H,16,17).
What are the key properties of 6-iodo-5-methyl-2,3,4,10-tetrahydro-1H-acridin-9-one?
6-iodo-5-methyl-2,3,4,10-tetrahydro-1H-acridin-9-one has a molecular weight of 339.18 g/mol, XLogP of 3.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-5-methyl-2,3,4,10-tetrahydro-1H-acridin-9-one is sourced from PubChem (CID 114257890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).