(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
SMILESCN([C@@H]1CC2=C3C(=CC=C2)N(C(=O)N3C1)OC)C4=CC=CC=C4
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
MW309.40 g/mol
LogP2.90
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 309.40 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 Weight309.40 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
SMILESCN([C@@H]1CC2=C3C(=CC=C2)N(C(=O)N3C1)OC)C4=CC=CC=C4
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
XLogP2.90
TPSA36.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity452

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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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 CN([C@@H]1CC2=C3C(=CC=C2)N(C(=O)N3C1)OC)C4=CC=CC=C4.
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 309.40 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 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).