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

C16H16N4O3 — CID 3516716

IUPAC6-methyl-5-(morpholine-4-carbonyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one
SMILESCn1c(C(=O)N2CCOCC2)cc2c(=O)n3ccccc3nc21
InChIInChI=1S/C16H16N4O3/c1-18-12(16(22)19-6-8-23-9-7-19)10-11-14(18)17-13-4-2-3-5-20(13)15(11)21/h2-5,10H,6-9H2,1H3
InChIKeySLUBAXINYMTVQW-UHFFFAOYSA-N
MW312.33 g/mol
LogP0.66
Rot. Bonds1

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

6-methyl-5-(morpholine-4-carbonyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one (PubChem CID 3516716) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 6-methyl-5-(morpholine-4-carbonyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one.

Molecular Properties

Compound Name6-methyl-5-(morpholine-4-carbonyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one
PubChem CID3516716
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name6-methyl-5-(morpholine-4-carbonyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one
SMILESCn1c(C(=O)N2CCOCC2)cc2c(=O)n3ccccc3nc21
InChIInChI=1S/C16H16N4O3/c1-18-12(16(22)19-6-8-23-9-7-19)10-11-14(18)17-13-4-2-3-5-20(13)15(11)21/h2-5,10H,6-9H2,1H3
InChIKeySLUBAXINYMTVQW-UHFFFAOYSA-N
XLogP0.66
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(morpholine-4-carbonyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one?
The IUPAC name of 6-methyl-5-(morpholine-4-carbonyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one (CID 3516716) is 6-methyl-5-(morpholine-4-carbonyl)-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 6-methyl-5-(morpholine-4-carbonyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one?
The canonical SMILES for 6-methyl-5-(morpholine-4-carbonyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one is Cn1c(C(=O)N2CCOCC2)cc2c(=O)n3ccccc3nc21.
What is the InChIKey of 6-methyl-5-(morpholine-4-carbonyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one?
The InChIKey is SLUBAXINYMTVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-18-12(16(22)19-6-8-23-9-7-19)10-11-14(18)17-13-4-2-3-5-20(13)15(11)21/h2-5,10H,6-9H2,1H3.
What are the key properties of 6-methyl-5-(morpholine-4-carbonyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one?
6-methyl-5-(morpholine-4-carbonyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one has a molecular weight of 312.33 g/mol, XLogP of 0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(morpholine-4-carbonyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one is sourced from PubChem (CID 3516716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).