methyl 5-oxo-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinoline-10-carboxylate

C18H17NO3 — CID 46843449

IUPACmethyl 5-oxo-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinoline-10-carboxylate
SMILESCOC(=O)c1cccc2c1Cc1c-2[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C18H17NO3/c1-22-18(21)13-8-4-7-11-14(13)9-15-10-5-2-3-6-12(10)17(20)19-16(11)15/h4,7-8H,2-3,5-6,9H2,1H3,(H,19,20)
InChIKeyWEJMTOQTAAAJPC-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.61
Rot. Bonds1

About methyl 5-oxo-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinoline-10-carboxylate

methyl 5-oxo-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinoline-10-carboxylate (PubChem CID 46843449) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is methyl 5-oxo-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinoline-10-carboxylate.

Molecular Properties

Compound Namemethyl 5-oxo-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinoline-10-carboxylate
PubChem CID46843449
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Namemethyl 5-oxo-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinoline-10-carboxylate
SMILESCOC(=O)c1cccc2c1Cc1c-2[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C18H17NO3/c1-22-18(21)13-8-4-7-11-14(13)9-15-10-5-2-3-6-12(10)17(20)19-16(11)15/h4,7-8H,2-3,5-6,9H2,1H3,(H,19,20)
InChIKeyWEJMTOQTAAAJPC-UHFFFAOYSA-N
XLogP2.61
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 5-oxo-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinoline-10-carboxylate with MolForge

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Related Compounds

10-ethyl-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one
CID 59535430
10-(piperidin-1-ylmethyl)-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinolin-5-one
CID 46843085
methyl 6-oxo-1,2,3,4,5,7-hexahydroazepino[3,2-c]quinoline-8-carboxylate
CID 58199972
methyl 2-[[2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetyl]amino]benzoate
CID 135530957
methyl 2-methoxy-2,3,4,5-tetrahydro-1-benzoxepine-6-carboxylate
CID 143813730
methyl 1,2,3,4-tetrahydroisoquinoline-8-carboxylate
CID 45074001
methyl 5-amino-5,6,7,8-tetrahydronaphthalene-1-carboxylate;hydrochloride
CID 154878753
methyl 2-[[2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate
CID 135693598
methyl 3,3,5-trioxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinoline-7-carboxylate
CID 58199966
dimethyl 6-oxocyclohepta-2,4,7-triene-1,2-dicarboxylate
CID 13416679
methyl 2-amino-3-(2-amino-3-methoxycarbonylphenyl)benzoate
CID 167435975
methyl 4-oxo-2,3-dihydrochromene-8-carboxylate
CID 122362508

Frequently Asked Questions

What is the IUPAC name of methyl 5-oxo-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinoline-10-carboxylate?
The IUPAC name of methyl 5-oxo-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinoline-10-carboxylate (CID 46843449) is methyl 5-oxo-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinoline-10-carboxylate.
What is the SMILES notation for methyl 5-oxo-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinoline-10-carboxylate?
The canonical SMILES for methyl 5-oxo-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinoline-10-carboxylate is COC(=O)c1cccc2c1Cc1c-2[nH]c(=O)c2c1CCCC2.
What is the InChIKey of methyl 5-oxo-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinoline-10-carboxylate?
The InChIKey is WEJMTOQTAAAJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-22-18(21)13-8-4-7-11-14(13)9-15-10-5-2-3-6-12(10)17(20)19-16(11)15/h4,7-8H,2-3,5-6,9H2,1H3,(H,19,20).
What are the key properties of methyl 5-oxo-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinoline-10-carboxylate?
methyl 5-oxo-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinoline-10-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxo-1,2,3,4,6,11-hexahydroindeno[1,2-c]isoquinoline-10-carboxylate is sourced from PubChem (CID 46843449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).