(4-methoxyphenyl)-[(11S)-2-methyl-11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]methanone

C24H26N2O4 — CID 15030122

IUPAC(4-methoxyphenyl)-[(11S)-2-methyl-11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]methanone
SMILESCOc1ccc(C(=O)c2c(C)n3c4c(cccc24)OC[C@@H]3CN2CCOCC2)cc1
InChIInChI=1S/C24H26N2O4/c1-16-22(24(27)17-6-8-19(28-2)9-7-17)20-4-3-5-21-23(20)26(16)18(15-30-21)14-25-10-12-29-13-11-25/h3-9,18H,10-15H2,1-2H3/t18-/m0/s1
InChIKeyQPVVITYZJFFLDY-SFHVURJKSA-N
MW406.48 g/mol
LogP3.46
Rot. Bonds5

About (4-methoxyphenyl)-[(11S)-2-methyl-11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]methanone

(4-methoxyphenyl)-[(11S)-2-methyl-11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]methanone (PubChem CID 15030122) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is (4-methoxyphenyl)-[(11S)-2-methyl-11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[(11S)-2-methyl-11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]methanone
PubChem CID15030122
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name(4-methoxyphenyl)-[(11S)-2-methyl-11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]methanone
SMILESCOc1ccc(C(=O)c2c(C)n3c4c(cccc24)OC[C@@H]3CN2CCOCC2)cc1
InChIInChI=1S/C24H26N2O4/c1-16-22(24(27)17-6-8-19(28-2)9-7-17)20-4-3-5-21-23(20)26(16)18(15-30-21)14-25-10-12-29-13-11-25/h3-9,18H,10-15H2,1-2H3/t18-/m0/s1
InChIKeyQPVVITYZJFFLDY-SFHVURJKSA-N
XLogP3.46
TPSA52.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-methoxyphenyl)-[(11S)-2-methyl-11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[(11S)-2-methyl-11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[(11S)-2-methyl-11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]methanone (CID 15030122) is (4-methoxyphenyl)-[(11S)-2-methyl-11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[(11S)-2-methyl-11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[(11S)-2-methyl-11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]methanone is COc1ccc(C(=O)c2c(C)n3c4c(cccc24)OC[C@@H]3CN2CCOCC2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[(11S)-2-methyl-11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]methanone?
The InChIKey is QPVVITYZJFFLDY-SFHVURJKSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-16-22(24(27)17-6-8-19(28-2)9-7-17)20-4-3-5-21-23(20)26(16)18(15-30-21)14-25-10-12-29-13-11-25/h3-9,18H,10-15H2,1-2H3/t18-/m0/s1.
What are the key properties of (4-methoxyphenyl)-[(11S)-2-methyl-11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]methanone?
(4-methoxyphenyl)-[(11S)-2-methyl-11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]methanone has a molecular weight of 406.48 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[(11S)-2-methyl-11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]methanone is sourced from PubChem (CID 15030122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).