6-phenyl-9-(quinolin-2-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene

C27H23N5O — CID 11178005

IUPAC6-phenyl-9-(quinolin-2-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene
SMILESc1ccc(-c2nnc3c4c(c(OCc5ccc6ccccc6n5)nn23)C2CCC4CC2)cc1
InChIInChI=1S/C27H23N5O/c1-2-7-20(8-3-1)25-29-30-26-23-18-10-12-19(13-11-18)24(23)27(31-32(25)26)33-16-21-15-14-17-6-4-5-9-22(17)28-21/h1-9,14-15,18-19H,10-13,16H2
InChIKeySGVYZSLDFHARFK-UHFFFAOYSA-N
MW433.52 g/mol
LogP5.67
Rot. Bonds4

About 6-phenyl-9-(quinolin-2-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene

6-phenyl-9-(quinolin-2-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene (PubChem CID 11178005) has the molecular formula C27H23N5O and a molecular weight of 433.52 g/mol. Its IUPAC name is 6-phenyl-9-(quinolin-2-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene.

Molecular Properties

Compound Name6-phenyl-9-(quinolin-2-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene
PubChem CID11178005
Molecular FormulaC27H23N5O
Molecular Weight433.52 g/mol
Exact Mass433.19
IUPAC Name6-phenyl-9-(quinolin-2-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene
SMILESc1ccc(-c2nnc3c4c(c(OCc5ccc6ccccc6n5)nn23)C2CCC4CC2)cc1
InChIInChI=1S/C27H23N5O/c1-2-7-20(8-3-1)25-29-30-26-23-18-10-12-19(13-11-18)24(23)27(31-32(25)26)33-16-21-15-14-17-6-4-5-9-22(17)28-21/h1-9,14-15,18-19H,10-13,16H2
InChIKeySGVYZSLDFHARFK-UHFFFAOYSA-N
XLogP5.67
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.52
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-phenyl-9-(quinolin-2-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-9-(quinolin-2-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene?
The IUPAC name of 6-phenyl-9-(quinolin-2-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene (CID 11178005) is 6-phenyl-9-(quinolin-2-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene.
What is the SMILES notation for 6-phenyl-9-(quinolin-2-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene?
The canonical SMILES for 6-phenyl-9-(quinolin-2-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene is c1ccc(-c2nnc3c4c(c(OCc5ccc6ccccc6n5)nn23)C2CCC4CC2)cc1.
What is the InChIKey of 6-phenyl-9-(quinolin-2-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene?
The InChIKey is SGVYZSLDFHARFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O/c1-2-7-20(8-3-1)25-29-30-26-23-18-10-12-19(13-11-18)24(23)27(31-32(25)26)33-16-21-15-14-17-6-4-5-9-22(17)28-21/h1-9,14-15,18-19H,10-13,16H2.
What are the key properties of 6-phenyl-9-(quinolin-2-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene?
6-phenyl-9-(quinolin-2-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene has a molecular weight of 433.52 g/mol, XLogP of 5.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-9-(quinolin-2-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene is sourced from PubChem (CID 11178005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).