11-methyl-7-(morpholin-4-ylmethyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one

C17H20N2O3 — CID 20719725

IUPAC11-methyl-7-(morpholin-4-ylmethyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one
SMILESCc1cn2c3c(cc(CN4CCOCC4)cc3c1=O)OCC2
InChIInChI=1S/C17H20N2O3/c1-12-10-19-4-7-22-15-9-13(8-14(16(15)19)17(12)20)11-18-2-5-21-6-3-18/h8-10H,2-7,11H2,1H3
InChIKeyPSRKNWXEDZJBMN-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.53
Rot. Bonds2

About 11-methyl-7-(morpholin-4-ylmethyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one

11-methyl-7-(morpholin-4-ylmethyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one (PubChem CID 20719725) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 11-methyl-7-(morpholin-4-ylmethyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one.

Molecular Properties

Compound Name11-methyl-7-(morpholin-4-ylmethyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one
PubChem CID20719725
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name11-methyl-7-(morpholin-4-ylmethyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one
SMILESCc1cn2c3c(cc(CN4CCOCC4)cc3c1=O)OCC2
InChIInChI=1S/C17H20N2O3/c1-12-10-19-4-7-22-15-9-13(8-14(16(15)19)17(12)20)11-18-2-5-21-6-3-18/h8-10H,2-7,11H2,1H3
InChIKeyPSRKNWXEDZJBMN-UHFFFAOYSA-N
XLogP1.53
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 11-methyl-7-(morpholin-4-ylmethyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one with MolForge

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Related Compounds

N-[(4-chlorophenyl)methyl]-7-(morpholin-4-ylmethyl)-4-oxo-10-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-2,5(14),6,8-tetraene-3-carboxamide
CID 10183521
11-methyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one
CID 146319575
3-methyl-8-(methylaminomethyl)-6-(morpholin-4-ylmethyl)-1H-quinolin-4-one
CID 21360687
4-[(4-bromo-3,5-dimethylphenyl)methyl]morpholine
CID 170919244
6-methyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one
CID 174673146
N-[(4-chlorophenyl)methyl]-3,7-bis(morpholin-4-ylmethyl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxamide
CID 10120156
3-(ethylsulfonylmethyl)-6-(morpholin-4-ylmethyl)-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,10-pentaene-10-carboxamide
CID 154454907
4-[(4-fluorosulfonyloxy-3,5-dimethylphenyl)methyl]morpholine
CID 154879948
4-[(3,5-difluoro-4-methylphenyl)methyl]morpholine
CID 178059917
ethyl 3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-7-(morpholin-4-ylmethyl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylate
CID 18753118
4-[(4-ethyl-3-methylphenyl)methyl]morpholine
CID 71052307
4-[(3,5-ditert-butylphenyl)methyl]morpholine
CID 59709271

Frequently Asked Questions

What is the IUPAC name of 11-methyl-7-(morpholin-4-ylmethyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one?
The IUPAC name of 11-methyl-7-(morpholin-4-ylmethyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one (CID 20719725) is 11-methyl-7-(morpholin-4-ylmethyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one.
What is the SMILES notation for 11-methyl-7-(morpholin-4-ylmethyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one?
The canonical SMILES for 11-methyl-7-(morpholin-4-ylmethyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one is Cc1cn2c3c(cc(CN4CCOCC4)cc3c1=O)OCC2.
What is the InChIKey of 11-methyl-7-(morpholin-4-ylmethyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one?
The InChIKey is PSRKNWXEDZJBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-12-10-19-4-7-22-15-9-13(8-14(16(15)19)17(12)20)11-18-2-5-21-6-3-18/h8-10H,2-7,11H2,1H3.
What are the key properties of 11-methyl-7-(morpholin-4-ylmethyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one?
11-methyl-7-(morpholin-4-ylmethyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one has a molecular weight of 300.36 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-7-(morpholin-4-ylmethyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraen-10-one is sourced from PubChem (CID 20719725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).