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

C24H21N — CID 51360681

IUPAC4-methyl-8-naphthalen-1-yl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene
SMILESCn1ccc2c(-c3cccc4ccccc34)cc3c(c21)C1CCC3C1
InChIInChI=1S/C24H21N/c1-25-12-11-20-22(19-8-4-6-15-5-2-3-7-18(15)19)14-21-16-9-10-17(13-16)23(21)24(20)25/h2-8,11-12,14,16-17H,9-10,13H2,1H3
InChIKeyBVPARMWRSWDOGH-UHFFFAOYSA-N
MW323.44 g/mol
LogP6.36
Rot. Bonds1

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

4-methyl-8-naphthalen-1-yl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene (PubChem CID 51360681) has the molecular formula C24H21N and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-methyl-8-naphthalen-1-yl-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-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene
PubChem CID51360681
Molecular FormulaC24H21N
Molecular Weight323.44 g/mol
Exact Mass323.17
IUPAC Name4-methyl-8-naphthalen-1-yl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene
SMILESCn1ccc2c(-c3cccc4ccccc34)cc3c(c21)C1CCC3C1
InChIInChI=1S/C24H21N/c1-25-12-11-20-22(19-8-4-6-15-5-2-3-7-18(15)19)14-21-16-9-10-17(13-16)23(21)24(20)25/h2-8,11-12,14,16-17H,9-10,13H2,1H3
InChIKeyBVPARMWRSWDOGH-UHFFFAOYSA-N
XLogP6.36
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.44
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-naphthalen-1-yl-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-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene (CID 51360681) is 4-methyl-8-naphthalen-1-yl-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-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-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene is Cn1ccc2c(-c3cccc4ccccc34)cc3c(c21)C1CCC3C1.
What is the InChIKey of 4-methyl-8-naphthalen-1-yl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene?
The InChIKey is BVPARMWRSWDOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N/c1-25-12-11-20-22(19-8-4-6-15-5-2-3-7-18(15)19)14-21-16-9-10-17(13-16)23(21)24(20)25/h2-8,11-12,14,16-17H,9-10,13H2,1H3.
What are the key properties of 4-methyl-8-naphthalen-1-yl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene?
4-methyl-8-naphthalen-1-yl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene has a molecular weight of 323.44 g/mol, XLogP of 6.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-naphthalen-1-yl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene is sourced from PubChem (CID 51360681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).