3-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-ylamino)phenol

C19H17N3O — CID 59262900

IUPAC3-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-ylamino)phenol
SMILESOc1cccc(Nc2ncc3c(n2)-c2ccccc2CCC3)c1
InChIInChI=1S/C19H17N3O/c23-16-9-4-8-15(11-16)21-19-20-12-14-7-3-6-13-5-1-2-10-17(13)18(14)22-19/h1-2,4-5,8-12,23H,3,6-7H2,(H,20,21,22)
InChIKeyNSFYJVMQBPJNOD-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.08
Rot. Bonds2

About 3-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-ylamino)phenol

3-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-ylamino)phenol (PubChem CID 59262900) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 3-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-ylamino)phenol.

Molecular Properties

Compound Name3-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-ylamino)phenol
PubChem CID59262900
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name3-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-ylamino)phenol
SMILESOc1cccc(Nc2ncc3c(n2)-c2ccccc2CCC3)c1
InChIInChI=1S/C19H17N3O/c23-16-9-4-8-15(11-16)21-19-20-12-14-7-3-6-13-5-1-2-10-17(13)18(14)22-19/h1-2,4-5,8-12,23H,3,6-7H2,(H,20,21,22)
InChIKeyNSFYJVMQBPJNOD-UHFFFAOYSA-N
XLogP4.08
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-ylamino)phenol 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 3-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-ylamino)phenol?
The IUPAC name of 3-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-ylamino)phenol (CID 59262900) is 3-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-ylamino)phenol.
What is the SMILES notation for 3-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-ylamino)phenol?
The canonical SMILES for 3-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-ylamino)phenol is Oc1cccc(Nc2ncc3c(n2)-c2ccccc2CCC3)c1.
What is the InChIKey of 3-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-ylamino)phenol?
The InChIKey is NSFYJVMQBPJNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c23-16-9-4-8-15(11-16)21-19-20-12-14-7-3-6-13-5-1-2-10-17(13)18(14)22-19/h1-2,4-5,8-12,23H,3,6-7H2,(H,20,21,22).
What are the key properties of 3-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-ylamino)phenol?
3-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-ylamino)phenol has a molecular weight of 303.37 g/mol, XLogP of 4.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-ylamino)phenol is sourced from PubChem (CID 59262900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).