20-(3-phenylquinoxalin-2-yl)-15-oxa-10-thia-20-azaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene

C38H19N3OS — CID 163653174

IUPAC20-(3-phenylquinoxalin-2-yl)-15-oxa-10-thia-20-azaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene
SMILESc1ccc(-c2nc3ccccc3nc2-n2c3cccc4c5cccc6sc7ccc8oc9ccc2c(c9c8c7c65)c43)cc1
InChIInChI=1S/C38H19N3OS/c1-2-8-20(9-3-1)37-38(40-24-13-5-4-12-23(24)39-37)41-25-14-6-10-21-22-11-7-15-29-32(22)36-30(43-29)19-18-28-35(36)34-27(42-28)17-16-26(41)33(34)31(21)25/h1-19H/b22-21-
InChIKeyVUXRCCANCUPWTA-DQRAZIAOSA-N
MW565.66 g/mol
LogP10.69
Rot. Bonds2

About 20-(3-phenylquinoxalin-2-yl)-15-oxa-10-thia-20-azaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene

20-(3-phenylquinoxalin-2-yl)-15-oxa-10-thia-20-azaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene (PubChem CID 163653174) has the molecular formula C38H19N3OS and a molecular weight of 565.66 g/mol. Its IUPAC name is 20-(3-phenylquinoxalin-2-yl)-15-oxa-10-thia-20-azaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene.

Molecular Properties

Compound Name20-(3-phenylquinoxalin-2-yl)-15-oxa-10-thia-20-azaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene
PubChem CID163653174
Molecular FormulaC38H19N3OS
Molecular Weight565.66 g/mol
Exact Mass565.12
IUPAC Name20-(3-phenylquinoxalin-2-yl)-15-oxa-10-thia-20-azaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene
SMILESc1ccc(-c2nc3ccccc3nc2-n2c3cccc4c5cccc6sc7ccc8oc9ccc2c(c9c8c7c65)c43)cc1
InChIInChI=1S/C38H19N3OS/c1-2-8-20(9-3-1)37-38(40-24-13-5-4-12-23(24)39-37)41-25-14-6-10-21-22-11-7-15-29-32(22)36-30(43-29)19-18-28-35(36)34-27(42-28)17-16-26(41)33(34)31(21)25/h1-19H/b22-21-
InChIKeyVUXRCCANCUPWTA-DQRAZIAOSA-N
XLogP10.69
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.66
LogP ≤ 510.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 20-(3-phenylquinoxalin-2-yl)-15-oxa-10-thia-20-azaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene 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 20-(3-phenylquinoxalin-2-yl)-15-oxa-10-thia-20-azaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene?
The IUPAC name of 20-(3-phenylquinoxalin-2-yl)-15-oxa-10-thia-20-azaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene (CID 163653174) is 20-(3-phenylquinoxalin-2-yl)-15-oxa-10-thia-20-azaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene.
What is the SMILES notation for 20-(3-phenylquinoxalin-2-yl)-15-oxa-10-thia-20-azaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene?
The canonical SMILES for 20-(3-phenylquinoxalin-2-yl)-15-oxa-10-thia-20-azaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene is c1ccc(-c2nc3ccccc3nc2-n2c3cccc4c5cccc6sc7ccc8oc9ccc2c(c9c8c7c65)c43)cc1.
What is the InChIKey of 20-(3-phenylquinoxalin-2-yl)-15-oxa-10-thia-20-azaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene?
The InChIKey is VUXRCCANCUPWTA-DQRAZIAOSA-N. The full InChI is InChI=1S/C38H19N3OS/c1-2-8-20(9-3-1)37-38(40-24-13-5-4-12-23(24)39-37)41-25-14-6-10-21-22-11-7-15-29-32(22)36-30(43-29)19-18-28-35(36)34-27(42-28)17-16-26(41)33(34)31(21)25/h1-19H/b22-21-.
What are the key properties of 20-(3-phenylquinoxalin-2-yl)-15-oxa-10-thia-20-azaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene?
20-(3-phenylquinoxalin-2-yl)-15-oxa-10-thia-20-azaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene has a molecular weight of 565.66 g/mol, XLogP of 10.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 20-(3-phenylquinoxalin-2-yl)-15-oxa-10-thia-20-azaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene is sourced from PubChem (CID 163653174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).