24-methyl-12-oxa-10,19-diazahexacyclo[12.11.0.02,11.04,9.017,25.018,23]pentacosa-1(14),2,4,6,8,10,15,17(25),18(23),19,21-undecaene

C23H16N2O — CID 170363438

IUPAC24-methyl-12-oxa-10,19-diazahexacyclo[12.11.0.02,11.04,9.017,25.018,23]pentacosa-1(14),2,4,6,8,10,15,17(25),18(23),19,21-undecaene
SMILESCC1c2cccnc2-c2ccc3c(c21)-c1cc2ccccc2nc1OC3
InChIInChI=1S/C23H16N2O/c1-13-16-6-4-10-24-22(16)17-9-8-15-12-26-23-18(21(15)20(13)17)11-14-5-2-3-7-19(14)25-23/h2-11,13H,12H2,1H3
InChIKeyVZBCZLJHNIDWRW-UHFFFAOYSA-N
MW336.39 g/mol
LogP5.32
Rot. Bonds

About 24-methyl-12-oxa-10,19-diazahexacyclo[12.11.0.02,11.04,9.017,25.018,23]pentacosa-1(14),2,4,6,8,10,15,17(25),18(23),19,21-undecaene

24-methyl-12-oxa-10,19-diazahexacyclo[12.11.0.02,11.04,9.017,25.018,23]pentacosa-1(14),2,4,6,8,10,15,17(25),18(23),19,21-undecaene (PubChem CID 170363438) has the molecular formula C23H16N2O and a molecular weight of 336.39 g/mol. Its IUPAC name is 24-methyl-12-oxa-10,19-diazahexacyclo[12.11.0.02,11.04,9.017,25.018,23]pentacosa-1(14),2,4,6,8,10,15,17(25),18(23),19,21-undecaene.

Molecular Properties

Compound Name24-methyl-12-oxa-10,19-diazahexacyclo[12.11.0.02,11.04,9.017,25.018,23]pentacosa-1(14),2,4,6,8,10,15,17(25),18(23),19,21-undecaene
PubChem CID170363438
Molecular FormulaC23H16N2O
Molecular Weight336.39 g/mol
Exact Mass336.13
IUPAC Name24-methyl-12-oxa-10,19-diazahexacyclo[12.11.0.02,11.04,9.017,25.018,23]pentacosa-1(14),2,4,6,8,10,15,17(25),18(23),19,21-undecaene
SMILESCC1c2cccnc2-c2ccc3c(c21)-c1cc2ccccc2nc1OC3
InChIInChI=1S/C23H16N2O/c1-13-16-6-4-10-24-22(16)17-9-8-15-12-26-23-18(21(15)20(13)17)11-14-5-2-3-7-19(14)25-23/h2-11,13H,12H2,1H3
InChIKeyVZBCZLJHNIDWRW-UHFFFAOYSA-N
XLogP5.32
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.39
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 24-methyl-12-oxa-10,19-diazahexacyclo[12.11.0.02,11.04,9.017,25.018,23]pentacosa-1(14),2,4,6,8,10,15,17(25),18(23),19,21-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 24-methyl-12-oxa-10,19-diazahexacyclo[12.11.0.02,11.04,9.017,25.018,23]pentacosa-1(14),2,4,6,8,10,15,17(25),18(23),19,21-undecaene?
The IUPAC name of 24-methyl-12-oxa-10,19-diazahexacyclo[12.11.0.02,11.04,9.017,25.018,23]pentacosa-1(14),2,4,6,8,10,15,17(25),18(23),19,21-undecaene (CID 170363438) is 24-methyl-12-oxa-10,19-diazahexacyclo[12.11.0.02,11.04,9.017,25.018,23]pentacosa-1(14),2,4,6,8,10,15,17(25),18(23),19,21-undecaene.
What is the SMILES notation for 24-methyl-12-oxa-10,19-diazahexacyclo[12.11.0.02,11.04,9.017,25.018,23]pentacosa-1(14),2,4,6,8,10,15,17(25),18(23),19,21-undecaene?
The canonical SMILES for 24-methyl-12-oxa-10,19-diazahexacyclo[12.11.0.02,11.04,9.017,25.018,23]pentacosa-1(14),2,4,6,8,10,15,17(25),18(23),19,21-undecaene is CC1c2cccnc2-c2ccc3c(c21)-c1cc2ccccc2nc1OC3.
What is the InChIKey of 24-methyl-12-oxa-10,19-diazahexacyclo[12.11.0.02,11.04,9.017,25.018,23]pentacosa-1(14),2,4,6,8,10,15,17(25),18(23),19,21-undecaene?
The InChIKey is VZBCZLJHNIDWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O/c1-13-16-6-4-10-24-22(16)17-9-8-15-12-26-23-18(21(15)20(13)17)11-14-5-2-3-7-19(14)25-23/h2-11,13H,12H2,1H3.
What are the key properties of 24-methyl-12-oxa-10,19-diazahexacyclo[12.11.0.02,11.04,9.017,25.018,23]pentacosa-1(14),2,4,6,8,10,15,17(25),18(23),19,21-undecaene?
24-methyl-12-oxa-10,19-diazahexacyclo[12.11.0.02,11.04,9.017,25.018,23]pentacosa-1(14),2,4,6,8,10,15,17(25),18(23),19,21-undecaene has a molecular weight of 336.39 g/mol, XLogP of 5.32, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 24-methyl-12-oxa-10,19-diazahexacyclo[12.11.0.02,11.04,9.017,25.018,23]pentacosa-1(14),2,4,6,8,10,15,17(25),18(23),19,21-undecaene is sourced from PubChem (CID 170363438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).