10-[(dimethylamino)methylsulfanyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one

C19H18N2OS — CID 46865692

IUPAC10-[(dimethylamino)methylsulfanyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one
SMILESCN(C)CSc1cccc2c1Cc1c-2[nH]c(=O)c2ccccc12
InChIInChI=1S/C19H18N2OS/c1-21(2)11-23-17-9-5-8-13-15(17)10-16-12-6-3-4-7-14(12)19(22)20-18(13)16/h3-9H,10-11H2,1-2H3,(H,20,22)
InChIKeyLPRZIPDSFOSDPO-UHFFFAOYSA-N
MW322.43 g/mol
LogP3.71
Rot. Bonds3

About 10-[(dimethylamino)methylsulfanyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one

10-[(dimethylamino)methylsulfanyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one (PubChem CID 46865692) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is 10-[(dimethylamino)methylsulfanyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one.

Molecular Properties

Compound Name10-[(dimethylamino)methylsulfanyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one
PubChem CID46865692
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC Name10-[(dimethylamino)methylsulfanyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one
SMILESCN(C)CSc1cccc2c1Cc1c-2[nH]c(=O)c2ccccc12
InChIInChI=1S/C19H18N2OS/c1-21(2)11-23-17-9-5-8-13-15(17)10-16-12-6-3-4-7-14(12)19(22)20-18(13)16/h3-9H,10-11H2,1-2H3,(H,20,22)
InChIKeyLPRZIPDSFOSDPO-UHFFFAOYSA-N
XLogP3.71
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(dimethylamino)-N-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-10-yl)butanamide
CID 11847527
6,11-dihydroindeno[1,2-c]isoquinolin-5-one;methanol
CID 91287320
8,9-dimethyl-6,11-dihydroindeno[1,2-c]isoquinolin-5-one
CID 58593003
8-methyl-6,11-dihydroindeno[1,2-c]isoquinolin-5-one
CID 58772534
sodium 5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonate
CID 23705998
methane;9-methyl-6,11-dihydroindeno[1,2-c]isoquinolin-5-one
CID 161223927
2-hydroxy-N-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-9-yl)acetamide
CID 11392596
8-fluoro-10-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one
CID 24894106
10-ethyl-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one
CID 59535430
ethane;2-methyl-3-[(Z)-prop-1-enyl]-1,4-dihydrocyclopenta[c]isoquinolin-5-one
CID 143417441
N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide
CID 11157496
2-fluoro-10-[(oxan-4-ylamino)methyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one
CID 68527850

Frequently Asked Questions

What is the IUPAC name of 10-[(dimethylamino)methylsulfanyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one?
The IUPAC name of 10-[(dimethylamino)methylsulfanyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one (CID 46865692) is 10-[(dimethylamino)methylsulfanyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one.
What is the SMILES notation for 10-[(dimethylamino)methylsulfanyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one?
The canonical SMILES for 10-[(dimethylamino)methylsulfanyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one is CN(C)CSc1cccc2c1Cc1c-2[nH]c(=O)c2ccccc12.
What is the InChIKey of 10-[(dimethylamino)methylsulfanyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one?
The InChIKey is LPRZIPDSFOSDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-21(2)11-23-17-9-5-8-13-15(17)10-16-12-6-3-4-7-14(12)19(22)20-18(13)16/h3-9H,10-11H2,1-2H3,(H,20,22).
What are the key properties of 10-[(dimethylamino)methylsulfanyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one?
10-[(dimethylamino)methylsulfanyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one has a molecular weight of 322.43 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(dimethylamino)methylsulfanyl]-6,11-dihydroindeno[1,2-c]isoquinolin-5-one is sourced from PubChem (CID 46865692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).