4-cyclopropyloxy-10-naphthalen-1-yl-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C23H17N3O — CID 172594991

IUPAC4-cyclopropyloxy-10-naphthalen-1-yl-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc2c(-c3nccc4c3[nH]c3ccc(OC5CC5)nc34)cccc2c1
InChIInChI=1S/C23H17N3O/c1-2-6-16-14(4-1)5-3-7-17(16)22-23-18(12-13-24-22)21-19(25-23)10-11-20(26-21)27-15-8-9-15/h1-7,10-13,15,25H,8-9H2
InChIKeyFMFMZUDZMKHLJV-UHFFFAOYSA-N
MW351.41 g/mol
LogP5.47
Rot. Bonds3

About 4-cyclopropyloxy-10-naphthalen-1-yl-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

4-cyclopropyloxy-10-naphthalen-1-yl-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 172594991) has the molecular formula C23H17N3O and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-cyclopropyloxy-10-naphthalen-1-yl-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name4-cyclopropyloxy-10-naphthalen-1-yl-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID172594991
Molecular FormulaC23H17N3O
Molecular Weight351.41 g/mol
Exact Mass351.14
IUPAC Name4-cyclopropyloxy-10-naphthalen-1-yl-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc2c(-c3nccc4c3[nH]c3ccc(OC5CC5)nc34)cccc2c1
InChIInChI=1S/C23H17N3O/c1-2-6-16-14(4-1)5-3-7-17(16)22-23-18(12-13-24-22)21-19(25-23)10-11-20(26-21)27-15-8-9-15/h1-7,10-13,15,25H,8-9H2
InChIKeyFMFMZUDZMKHLJV-UHFFFAOYSA-N
XLogP5.47
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.41
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-cyclopropyloxy-10-naphthalen-1-yl-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyloxy-10-naphthalen-1-yl-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 4-cyclopropyloxy-10-naphthalen-1-yl-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 172594991) is 4-cyclopropyloxy-10-naphthalen-1-yl-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 4-cyclopropyloxy-10-naphthalen-1-yl-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 4-cyclopropyloxy-10-naphthalen-1-yl-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is c1ccc2c(-c3nccc4c3[nH]c3ccc(OC5CC5)nc34)cccc2c1.
What is the InChIKey of 4-cyclopropyloxy-10-naphthalen-1-yl-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is FMFMZUDZMKHLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O/c1-2-6-16-14(4-1)5-3-7-17(16)22-23-18(12-13-24-22)21-19(25-23)10-11-20(26-21)27-15-8-9-15/h1-7,10-13,15,25H,8-9H2.
What are the key properties of 4-cyclopropyloxy-10-naphthalen-1-yl-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
4-cyclopropyloxy-10-naphthalen-1-yl-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 351.41 g/mol, XLogP of 5.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyloxy-10-naphthalen-1-yl-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 172594991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).