2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl acetate

C19H20N2O2 — CID 67850620

IUPAC2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl acetate
SMILESCC(=O)ON1CCN2c3ccccc3Cc3ccccc3C2C1
InChIInChI=1S/C19H20N2O2/c1-14(22)23-20-10-11-21-18-9-5-3-7-16(18)12-15-6-2-4-8-17(15)19(21)13-20/h2-9,19H,10-13H2,1H3
InChIKeyHFADIHUHNZLJPW-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.93
Rot. Bonds1

About 2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl acetate

2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl acetate (PubChem CID 67850620) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl acetate.

Molecular Properties

Compound Name2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl acetate
PubChem CID67850620
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl acetate
SMILESCC(=O)ON1CCN2c3ccccc3Cc3ccccc3C2C1
InChIInChI=1S/C19H20N2O2/c1-14(22)23-20-10-11-21-18-9-5-3-7-16(18)12-15-6-2-4-8-17(15)19(21)13-20/h2-9,19H,10-13H2,1H3
InChIKeyHFADIHUHNZLJPW-UHFFFAOYSA-N
XLogP2.93
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl acetate with MolForge

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

Launch Full Analysis

Related Compounds

5-(tritritiomethyl)-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene
CID 10445853
6-[(7S)-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl]hexanoic acid;hydrochloride
CID 67780459
(7R)-5-(2-chloroethyl)-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene
CID 57197565
2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene
CID 15506421
N-methyl-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-amine
CID 70636802
2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-amine
CID 21420493
(6R)-6-ethyl-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene-5-carboxylic acid
CID 67835774
ethyl 4-(17-chloro-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl)butanoate
CID 18999736
2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-4-amine
CID 70637797
2-[2-(17-bromo-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-yl)ethoxy]acetic acid
CID 18999712
1-(3-amino-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-yl)-3-phenylpropan-1-one
CID 154636854
(5-methyl-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-16-yl) trifluoromethanesulfonate
CID 10093085

Frequently Asked Questions

What is the IUPAC name of 2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl acetate?
The IUPAC name of 2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl acetate (CID 67850620) is 2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl acetate.
What is the SMILES notation for 2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl acetate?
The canonical SMILES for 2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl acetate is CC(=O)ON1CCN2c3ccccc3Cc3ccccc3C2C1.
What is the InChIKey of 2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl acetate?
The InChIKey is HFADIHUHNZLJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-14(22)23-20-10-11-21-18-9-5-3-7-16(18)12-15-6-2-4-8-17(15)19(21)13-20/h2-9,19H,10-13H2,1H3.
What are the key properties of 2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl acetate?
2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl acetate has a molecular weight of 308.38 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-yl acetate is sourced from PubChem (CID 67850620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).