4-methyl-8-naphthalen-1-yl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene

C23H19NO — CID 51360700

IUPAC4-methyl-8-naphthalen-1-yl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene
SMILESCn1ccc2c(-c3cccc4ccccc34)cc3c(c21)C1CCC3O1
InChIInChI=1S/C23H19NO/c1-24-12-11-17-18(16-8-4-6-14-5-2-3-7-15(14)16)13-19-20-9-10-21(25-20)22(19)23(17)24/h2-8,11-13,20-21H,9-10H2,1H3
InChIKeyGLZODCOHLUSPJL-UHFFFAOYSA-N
MW325.41 g/mol
LogP5.90
Rot. Bonds1

About 4-methyl-8-naphthalen-1-yl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene

4-methyl-8-naphthalen-1-yl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene (PubChem CID 51360700) has the molecular formula C23H19NO and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-methyl-8-naphthalen-1-yl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene.

Molecular Properties

Compound Name4-methyl-8-naphthalen-1-yl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene
PubChem CID51360700
Molecular FormulaC23H19NO
Molecular Weight325.41 g/mol
Exact Mass325.15
IUPAC Name4-methyl-8-naphthalen-1-yl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene
SMILESCn1ccc2c(-c3cccc4ccccc34)cc3c(c21)C1CCC3O1
InChIInChI=1S/C23H19NO/c1-24-12-11-17-18(16-8-4-6-14-5-2-3-7-15(14)16)13-19-20-9-10-21(25-20)22(19)23(17)24/h2-8,11-13,20-21H,9-10H2,1H3
InChIKeyGLZODCOHLUSPJL-UHFFFAOYSA-N
XLogP5.90
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.41
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-naphthalen-1-yl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene?
The IUPAC name of 4-methyl-8-naphthalen-1-yl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene (CID 51360700) is 4-methyl-8-naphthalen-1-yl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene.
What is the SMILES notation for 4-methyl-8-naphthalen-1-yl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene?
The canonical SMILES for 4-methyl-8-naphthalen-1-yl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene is Cn1ccc2c(-c3cccc4ccccc34)cc3c(c21)C1CCC3O1.
What is the InChIKey of 4-methyl-8-naphthalen-1-yl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene?
The InChIKey is GLZODCOHLUSPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO/c1-24-12-11-17-18(16-8-4-6-14-5-2-3-7-15(14)16)13-19-20-9-10-21(25-20)22(19)23(17)24/h2-8,11-13,20-21H,9-10H2,1H3.
What are the key properties of 4-methyl-8-naphthalen-1-yl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene?
4-methyl-8-naphthalen-1-yl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene has a molecular weight of 325.41 g/mol, XLogP of 5.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-naphthalen-1-yl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene is sourced from PubChem (CID 51360700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).