11-methyl-5-(morpholine-4-carbonyl)-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one

C17H20N4O3 — CID 3701216

IUPAC11-methyl-5-(morpholine-4-carbonyl)-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one
SMILESCc1cccn2c(=O)c3c(nc12)CCN(C(=O)N1CCOCC1)C3
InChIInChI=1S/C17H20N4O3/c1-12-3-2-5-21-15(12)18-14-4-6-20(11-13(14)16(21)22)17(23)19-7-9-24-10-8-19/h2-3,5H,4,6-11H2,1H3
InChIKeyKVYOWBJCAXYBFQ-UHFFFAOYSA-N
MW328.37 g/mol
LogP0.81
Rot. Bonds

About 11-methyl-5-(morpholine-4-carbonyl)-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one

11-methyl-5-(morpholine-4-carbonyl)-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one (PubChem CID 3701216) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 11-methyl-5-(morpholine-4-carbonyl)-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one.

Molecular Properties

Compound Name11-methyl-5-(morpholine-4-carbonyl)-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one
PubChem CID3701216
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name11-methyl-5-(morpholine-4-carbonyl)-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one
SMILESCc1cccn2c(=O)c3c(nc12)CCN(C(=O)N1CCOCC1)C3
InChIInChI=1S/C17H20N4O3/c1-12-3-2-5-21-15(12)18-14-4-6-20(11-13(14)16(21)22)17(23)19-7-9-24-10-8-19/h2-3,5H,4,6-11H2,1H3
InChIKeyKVYOWBJCAXYBFQ-UHFFFAOYSA-N
XLogP0.81
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 11-methyl-5-(morpholine-4-carbonyl)-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one?
The IUPAC name of 11-methyl-5-(morpholine-4-carbonyl)-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one (CID 3701216) is 11-methyl-5-(morpholine-4-carbonyl)-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one.
What is the SMILES notation for 11-methyl-5-(morpholine-4-carbonyl)-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one?
The canonical SMILES for 11-methyl-5-(morpholine-4-carbonyl)-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one is Cc1cccn2c(=O)c3c(nc12)CCN(C(=O)N1CCOCC1)C3.
What is the InChIKey of 11-methyl-5-(morpholine-4-carbonyl)-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one?
The InChIKey is KVYOWBJCAXYBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-12-3-2-5-21-15(12)18-14-4-6-20(11-13(14)16(21)22)17(23)19-7-9-24-10-8-19/h2-3,5H,4,6-11H2,1H3.
What are the key properties of 11-methyl-5-(morpholine-4-carbonyl)-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one?
11-methyl-5-(morpholine-4-carbonyl)-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one has a molecular weight of 328.37 g/mol, XLogP of 0.81, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-5-(morpholine-4-carbonyl)-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one is sourced from PubChem (CID 3701216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).