10-methyl-5-(naphthalen-2-yloxymethyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

C18H14N6O — CID 945764

IUPAC10-methyl-5-(naphthalen-2-yloxymethyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCn1ncc2c1ncn1c(COc3ccc4ccccc4c3)nnc21
InChIInChI=1S/C18H14N6O/c1-23-17-15(9-20-23)18-22-21-16(24(18)11-19-17)10-25-14-7-6-12-4-2-3-5-13(12)8-14/h2-9,11H,10H2,1H3
InChIKeyRZWJZYVQXOGMHX-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.74
Rot. Bonds3

About 10-methyl-5-(naphthalen-2-yloxymethyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

10-methyl-5-(naphthalen-2-yloxymethyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (PubChem CID 945764) has the molecular formula C18H14N6O and a molecular weight of 330.35 g/mol. Its IUPAC name is 10-methyl-5-(naphthalen-2-yloxymethyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.

Molecular Properties

Compound Name10-methyl-5-(naphthalen-2-yloxymethyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
PubChem CID945764
Molecular FormulaC18H14N6O
Molecular Weight330.35 g/mol
Exact Mass330.12
IUPAC Name10-methyl-5-(naphthalen-2-yloxymethyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCn1ncc2c1ncn1c(COc3ccc4ccccc4c3)nnc21
InChIInChI=1S/C18H14N6O/c1-23-17-15(9-20-23)18-22-21-16(24(18)11-19-17)10-25-14-7-6-12-4-2-3-5-13(12)8-14/h2-9,11H,10H2,1H3
InChIKeyRZWJZYVQXOGMHX-UHFFFAOYSA-N
XLogP2.74
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 10-methyl-5-(naphthalen-2-yloxymethyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene with MolForge

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Related Compounds

10-methyl-4-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 19582522
10-methyl-5-(4-methylphenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 753565
10-methyl-5-(3,4,5-triethoxyphenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 4041000
10-(2,4-dimethylphenyl)-5-(naphthalen-1-ylmethyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 2024337
10-methyl-5-(3,4,5-trimethoxyphenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 942892
10-(3-chlorophenyl)-5-(naphthalen-1-ylmethyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 2023174
1-methyl-5-[(3-phenylmethoxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 47085998
5-[(3,4-dimethoxyphenyl)methyl]-10-phenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 1079805
4-(7-methoxynaphthalen-2-yl)oxy-1-methylpyrazolo[5,4-d]pyrimidine
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4-[4-[(4-ethoxyphenoxy)methyl]phenyl]-10-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 4777006

Frequently Asked Questions

What is the IUPAC name of 10-methyl-5-(naphthalen-2-yloxymethyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The IUPAC name of 10-methyl-5-(naphthalen-2-yloxymethyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (CID 945764) is 10-methyl-5-(naphthalen-2-yloxymethyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
What is the SMILES notation for 10-methyl-5-(naphthalen-2-yloxymethyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The canonical SMILES for 10-methyl-5-(naphthalen-2-yloxymethyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is Cn1ncc2c1ncn1c(COc3ccc4ccccc4c3)nnc21.
What is the InChIKey of 10-methyl-5-(naphthalen-2-yloxymethyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The InChIKey is RZWJZYVQXOGMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O/c1-23-17-15(9-20-23)18-22-21-16(24(18)11-19-17)10-25-14-7-6-12-4-2-3-5-13(12)8-14/h2-9,11H,10H2,1H3.
What are the key properties of 10-methyl-5-(naphthalen-2-yloxymethyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
10-methyl-5-(naphthalen-2-yloxymethyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene has a molecular weight of 330.35 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-5-(naphthalen-2-yloxymethyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is sourced from PubChem (CID 945764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).