(10R)-8-methyl-5-morpholin-4-yl-12-propan-2-yl-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-9-one

C18H27N5O2 — CID 167173318

IUPAC(10R)-8-methyl-5-morpholin-4-yl-12-propan-2-yl-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-9-one
SMILESCC(C)N1CCN2c3ncc(N4CCOCC4)cc3N(C)C(=O)[C@H]2C1
InChIInChI=1S/C18H27N5O2/c1-13(2)22-4-5-23-16(12-22)18(24)20(3)15-10-14(11-19-17(15)23)21-6-8-25-9-7-21/h10-11,13,16H,4-9,12H2,1-3H3/t16-/m1/s1
InChIKeyNUCYDBJFYJIDED-MRXNPFEDSA-N
MW345.45 g/mol
LogP0.79
Rot. Bonds2

About (10R)-8-methyl-5-morpholin-4-yl-12-propan-2-yl-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-9-one

(10R)-8-methyl-5-morpholin-4-yl-12-propan-2-yl-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-9-one (PubChem CID 167173318) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is (10R)-8-methyl-5-morpholin-4-yl-12-propan-2-yl-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-9-one.

Molecular Properties

Compound Name(10R)-8-methyl-5-morpholin-4-yl-12-propan-2-yl-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-9-one
PubChem CID167173318
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name(10R)-8-methyl-5-morpholin-4-yl-12-propan-2-yl-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-9-one
SMILESCC(C)N1CCN2c3ncc(N4CCOCC4)cc3N(C)C(=O)[C@H]2C1
InChIInChI=1S/C18H27N5O2/c1-13(2)22-4-5-23-16(12-22)18(24)20(3)15-10-14(11-19-17(15)23)21-6-8-25-9-7-21/h10-11,13,16H,4-9,12H2,1-3H3/t16-/m1/s1
InChIKeyNUCYDBJFYJIDED-MRXNPFEDSA-N
XLogP0.79
TPSA52.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (10R)-8-methyl-5-morpholin-4-yl-12-propan-2-yl-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-9-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (10R)-8-methyl-5-morpholin-4-yl-12-propan-2-yl-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-9-one?
The IUPAC name of (10R)-8-methyl-5-morpholin-4-yl-12-propan-2-yl-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-9-one (CID 167173318) is (10R)-8-methyl-5-morpholin-4-yl-12-propan-2-yl-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-9-one.
What is the SMILES notation for (10R)-8-methyl-5-morpholin-4-yl-12-propan-2-yl-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-9-one?
The canonical SMILES for (10R)-8-methyl-5-morpholin-4-yl-12-propan-2-yl-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-9-one is CC(C)N1CCN2c3ncc(N4CCOCC4)cc3N(C)C(=O)[C@H]2C1.
What is the InChIKey of (10R)-8-methyl-5-morpholin-4-yl-12-propan-2-yl-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-9-one?
The InChIKey is NUCYDBJFYJIDED-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-13(2)22-4-5-23-16(12-22)18(24)20(3)15-10-14(11-19-17(15)23)21-6-8-25-9-7-21/h10-11,13,16H,4-9,12H2,1-3H3/t16-/m1/s1.
What are the key properties of (10R)-8-methyl-5-morpholin-4-yl-12-propan-2-yl-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-9-one?
(10R)-8-methyl-5-morpholin-4-yl-12-propan-2-yl-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-9-one has a molecular weight of 345.45 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-8-methyl-5-morpholin-4-yl-12-propan-2-yl-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-9-one is sourced from PubChem (CID 167173318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).