24,24-dimethyl-12-oxa-4,19-diazahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,15,17(25),18(23),19,21-undecaene

C24H18N2O — CID 170363665

IUPAC24,24-dimethyl-12-oxa-4,19-diazahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,15,17(25),18(23),19,21-undecaene
SMILESCC1(C)c2cccnc2-c2ccc3c(c21)-c1cnc2ccccc2c1OC3
InChIInChI=1S/C24H18N2O/c1-24(2)18-7-5-11-25-22(18)16-10-9-14-13-27-23-15-6-3-4-8-19(15)26-12-17(23)20(14)21(16)24/h3-12H,13H2,1-2H3
InChIKeyNQNYHFJUVBQUDD-UHFFFAOYSA-N
MW350.42 g/mol
LogP5.50
Rot. Bonds

About 24,24-dimethyl-12-oxa-4,19-diazahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,15,17(25),18(23),19,21-undecaene

24,24-dimethyl-12-oxa-4,19-diazahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,15,17(25),18(23),19,21-undecaene (PubChem CID 170363665) has the molecular formula C24H18N2O and a molecular weight of 350.42 g/mol. Its IUPAC name is 24,24-dimethyl-12-oxa-4,19-diazahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,15,17(25),18(23),19,21-undecaene.

Molecular Properties

Compound Name24,24-dimethyl-12-oxa-4,19-diazahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,15,17(25),18(23),19,21-undecaene
PubChem CID170363665
Molecular FormulaC24H18N2O
Molecular Weight350.42 g/mol
Exact Mass350.14
IUPAC Name24,24-dimethyl-12-oxa-4,19-diazahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,15,17(25),18(23),19,21-undecaene
SMILESCC1(C)c2cccnc2-c2ccc3c(c21)-c1cnc2ccccc2c1OC3
InChIInChI=1S/C24H18N2O/c1-24(2)18-7-5-11-25-22(18)16-10-9-14-13-27-23-15-6-3-4-8-19(15)26-12-17(23)20(14)21(16)24/h3-12H,13H2,1-2H3
InChIKeyNQNYHFJUVBQUDD-UHFFFAOYSA-N
XLogP5.50
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.42
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 24,24-dimethyl-12-oxa-4,19-diazahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,15,17(25),18(23),19,21-undecaene 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 24,24-dimethyl-12-oxa-4,19-diazahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,15,17(25),18(23),19,21-undecaene?
The IUPAC name of 24,24-dimethyl-12-oxa-4,19-diazahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,15,17(25),18(23),19,21-undecaene (CID 170363665) is 24,24-dimethyl-12-oxa-4,19-diazahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,15,17(25),18(23),19,21-undecaene.
What is the SMILES notation for 24,24-dimethyl-12-oxa-4,19-diazahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,15,17(25),18(23),19,21-undecaene?
The canonical SMILES for 24,24-dimethyl-12-oxa-4,19-diazahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,15,17(25),18(23),19,21-undecaene is CC1(C)c2cccnc2-c2ccc3c(c21)-c1cnc2ccccc2c1OC3.
What is the InChIKey of 24,24-dimethyl-12-oxa-4,19-diazahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,15,17(25),18(23),19,21-undecaene?
The InChIKey is NQNYHFJUVBQUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O/c1-24(2)18-7-5-11-25-22(18)16-10-9-14-13-27-23-15-6-3-4-8-19(15)26-12-17(23)20(14)21(16)24/h3-12H,13H2,1-2H3.
What are the key properties of 24,24-dimethyl-12-oxa-4,19-diazahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,15,17(25),18(23),19,21-undecaene?
24,24-dimethyl-12-oxa-4,19-diazahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,15,17(25),18(23),19,21-undecaene has a molecular weight of 350.42 g/mol, XLogP of 5.50, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 24,24-dimethyl-12-oxa-4,19-diazahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,15,17(25),18(23),19,21-undecaene is sourced from PubChem (CID 170363665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).