3,6,8,14-tetramethyl-8-(6-methyl-3-pyridinyl)-7-oxa-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11(16),12,14-tetraene

C24H29N3O — CID 53379134

IUPAC3,6,8,14-tetramethyl-8-(6-methyl-3-pyridinyl)-7-oxa-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11(16),12,14-tetraene
SMILESCc1ccc2c(c1)c1c3n2CC(C)(c2ccc(C)nc2)OC(C)C3CN(C)C1
InChIInChI=1S/C24H29N3O/c1-15-6-9-22-19(10-15)21-13-26(5)12-20-17(3)28-24(4,14-27(22)23(20)21)18-8-7-16(2)25-11-18/h6-11,17,20H,12-14H2,1-5H3
InChIKeyBIFJMWVDVMEERH-UHFFFAOYSA-N
MW375.52 g/mol
LogP4.52
Rot. Bonds1

About 3,6,8,14-tetramethyl-8-(6-methyl-3-pyridinyl)-7-oxa-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11(16),12,14-tetraene

3,6,8,14-tetramethyl-8-(6-methyl-3-pyridinyl)-7-oxa-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11(16),12,14-tetraene (PubChem CID 53379134) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is 3,6,8,14-tetramethyl-8-(6-methyl-3-pyridinyl)-7-oxa-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11(16),12,14-tetraene.

Molecular Properties

Compound Name3,6,8,14-tetramethyl-8-(6-methyl-3-pyridinyl)-7-oxa-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11(16),12,14-tetraene
PubChem CID53379134
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name3,6,8,14-tetramethyl-8-(6-methyl-3-pyridinyl)-7-oxa-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11(16),12,14-tetraene
SMILESCc1ccc2c(c1)c1c3n2CC(C)(c2ccc(C)nc2)OC(C)C3CN(C)C1
InChIInChI=1S/C24H29N3O/c1-15-6-9-22-19(10-15)21-13-26(5)12-20-17(3)28-24(4,14-27(22)23(20)21)18-8-7-16(2)25-11-18/h6-11,17,20H,12-14H2,1-5H3
InChIKeyBIFJMWVDVMEERH-UHFFFAOYSA-N
XLogP4.52
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,6,8,14-tetramethyl-8-(6-methyl-3-pyridinyl)-7-oxa-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11(16),12,14-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,6,8,14-tetramethyl-8-(6-methyl-3-pyridinyl)-7-oxa-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11(16),12,14-tetraene?
The IUPAC name of 3,6,8,14-tetramethyl-8-(6-methyl-3-pyridinyl)-7-oxa-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11(16),12,14-tetraene (CID 53379134) is 3,6,8,14-tetramethyl-8-(6-methyl-3-pyridinyl)-7-oxa-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11(16),12,14-tetraene.
What is the SMILES notation for 3,6,8,14-tetramethyl-8-(6-methyl-3-pyridinyl)-7-oxa-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11(16),12,14-tetraene?
The canonical SMILES for 3,6,8,14-tetramethyl-8-(6-methyl-3-pyridinyl)-7-oxa-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11(16),12,14-tetraene is Cc1ccc2c(c1)c1c3n2CC(C)(c2ccc(C)nc2)OC(C)C3CN(C)C1.
What is the InChIKey of 3,6,8,14-tetramethyl-8-(6-methyl-3-pyridinyl)-7-oxa-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11(16),12,14-tetraene?
The InChIKey is BIFJMWVDVMEERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-15-6-9-22-19(10-15)21-13-26(5)12-20-17(3)28-24(4,14-27(22)23(20)21)18-8-7-16(2)25-11-18/h6-11,17,20H,12-14H2,1-5H3.
What are the key properties of 3,6,8,14-tetramethyl-8-(6-methyl-3-pyridinyl)-7-oxa-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11(16),12,14-tetraene?
3,6,8,14-tetramethyl-8-(6-methyl-3-pyridinyl)-7-oxa-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11(16),12,14-tetraene has a molecular weight of 375.52 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,8,14-tetramethyl-8-(6-methyl-3-pyridinyl)-7-oxa-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11(16),12,14-tetraene is sourced from PubChem (CID 53379134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).