5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-6,10-dimethyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one

C19H22N4O3 — CID 7030411

IUPAC5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-6,10-dimethyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one
SMILESCc1cccn2c(=O)c3cc(C(=O)N4C[C@@H](C)O[C@H](C)C4)n(C)c3nc12
InChIInChI=1S/C19H22N4O3/c1-11-6-5-7-23-16(11)20-17-14(18(23)24)8-15(21(17)4)19(25)22-9-12(2)26-13(3)10-22/h5-8,12-13H,9-10H2,1-4H3/t12-,13-/m1/s1
InChIKeyOYHBKBAHLASDIH-CHWSQXEVSA-N
MW354.41 g/mol
LogP1.74
Rot. Bonds1

About 5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-6,10-dimethyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one

5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-6,10-dimethyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one (PubChem CID 7030411) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-6,10-dimethyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one.

Molecular Properties

Compound Name5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-6,10-dimethyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one
PubChem CID7030411
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-6,10-dimethyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one
SMILESCc1cccn2c(=O)c3cc(C(=O)N4C[C@@H](C)O[C@H](C)C4)n(C)c3nc12
InChIInChI=1S/C19H22N4O3/c1-11-6-5-7-23-16(11)20-17-14(18(23)24)8-15(21(17)4)19(25)22-9-12(2)26-13(3)10-22/h5-8,12-13H,9-10H2,1-4H3/t12-,13-/m1/s1
InChIKeyOYHBKBAHLASDIH-CHWSQXEVSA-N
XLogP1.74
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-6,10-dimethyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one with MolForge

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Related Compounds

N-(2,6-dimethylphenyl)-6,10-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 984708
5-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-6-methyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one
CID 7030377
6,10-dimethyl-2-oxo-N-propyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 5001187
6,10-dimethyl-N-(3-methylbutyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 852283
N-(4-chlorophenyl)-6,10-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 4624085
N-[(2R)-butan-2-yl]-6,10-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 852286
N-(furan-2-ylmethyl)-6,10-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 852295
6-benzyl-5-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one
CID 7623123
5-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-6-(3-methoxypropyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one
CID 7622522
6,10-dimethyl-N-[(4-methylphenyl)methyl]-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 3600771
6-(3-methoxypropyl)-10-methyl-5-(4-methylpiperazine-1-carbonyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one
CID 4974792
6-methyl-5-(3-methylpiperidine-1-carbonyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one
CID 3504883

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-6,10-dimethyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one?
The IUPAC name of 5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-6,10-dimethyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one (CID 7030411) is 5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-6,10-dimethyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one.
What is the SMILES notation for 5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-6,10-dimethyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one?
The canonical SMILES for 5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-6,10-dimethyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one is Cc1cccn2c(=O)c3cc(C(=O)N4C[C@@H](C)O[C@H](C)C4)n(C)c3nc12.
What is the InChIKey of 5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-6,10-dimethyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one?
The InChIKey is OYHBKBAHLASDIH-CHWSQXEVSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-11-6-5-7-23-16(11)20-17-14(18(23)24)8-15(21(17)4)19(25)22-9-12(2)26-13(3)10-22/h5-8,12-13H,9-10H2,1-4H3/t12-,13-/m1/s1.
What are the key properties of 5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-6,10-dimethyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one?
5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-6,10-dimethyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one has a molecular weight of 354.41 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-6,10-dimethyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one is sourced from PubChem (CID 7030411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).