(10R)-3-methoxy-10-(N-methylanilino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one

C18H19N3O2 — CID 70141271

IUPAC(10R)-3-methoxy-10-(N-methylanilino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
SMILESCOn1c(=O)n2c3c(cccc31)C[C@@H](N(C)c1ccccc1)C2
InChIInChI=1S/C18H19N3O2/c1-19(14-8-4-3-5-9-14)15-11-13-7-6-10-16-17(13)20(12-15)18(22)21(16)23-2/h3-10,15H,11-12H2,1-2H3/t15-/m1/s1
InChIKeyFEDDSEFWRMWWJH-OAHLLOKOSA-N
MW309.37 g/mol
LogP1.92
Rot. Bonds3

About (10R)-3-methoxy-10-(N-methylanilino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one

(10R)-3-methoxy-10-(N-methylanilino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one (PubChem CID 70141271) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is (10R)-3-methoxy-10-(N-methylanilino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one.

Molecular Properties

Compound Name(10R)-3-methoxy-10-(N-methylanilino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
PubChem CID70141271
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name(10R)-3-methoxy-10-(N-methylanilino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
SMILESCOn1c(=O)n2c3c(cccc31)C[C@@H](N(C)c1ccccc1)C2
InChIInChI=1S/C18H19N3O2/c1-19(14-8-4-3-5-9-14)15-11-13-7-6-10-16-17(13)20(12-15)18(22)21(16)23-2/h3-10,15H,11-12H2,1-2H3/t15-/m1/s1
InChIKeyFEDDSEFWRMWWJH-OAHLLOKOSA-N
XLogP1.92
TPSA39.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (10R)-3-methoxy-10-(N-methylanilino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one with MolForge

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Related Compounds

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R 79882
CID 127665
Benzimidazolone scaffold, 8b
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Benzimidazolone scaffold, 8e
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Benzimidazolone scaffold, 8f
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N-methyl-2-(2-oxo-6-phenyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)-N-phenylacetamide
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Fluorphine
CID 145964378
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Frequently Asked Questions

What is the IUPAC name of (10R)-3-methoxy-10-(N-methylanilino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one?
The IUPAC name of (10R)-3-methoxy-10-(N-methylanilino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one (CID 70141271) is (10R)-3-methoxy-10-(N-methylanilino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one.
What is the SMILES notation for (10R)-3-methoxy-10-(N-methylanilino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one?
The canonical SMILES for (10R)-3-methoxy-10-(N-methylanilino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one is COn1c(=O)n2c3c(cccc31)C[C@@H](N(C)c1ccccc1)C2.
What is the InChIKey of (10R)-3-methoxy-10-(N-methylanilino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one?
The InChIKey is FEDDSEFWRMWWJH-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-19(14-8-4-3-5-9-14)15-11-13-7-6-10-16-17(13)20(12-15)18(22)21(16)23-2/h3-10,15H,11-12H2,1-2H3/t15-/m1/s1.
What are the key properties of (10R)-3-methoxy-10-(N-methylanilino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one?
(10R)-3-methoxy-10-(N-methylanilino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one has a molecular weight of 309.37 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-3-methoxy-10-(N-methylanilino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one is sourced from PubChem (CID 70141271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).