13-oxa-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,7,9,11,14,16-heptaen-3-amine;hydrochloride

C15H14ClN3O — CID 21153930

IUPAC13-oxa-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,7,9,11,14,16-heptaen-3-amine;hydrochloride
SMILESCl.NC1=NCC2c3ccccc3Oc3ccccc3N12
InChIInChI=1S/C15H13N3O.ClH/c16-15-17-9-12-10-5-1-3-7-13(10)19-14-8-4-2-6-11(14)18(12)15;/h1-8,12H,9H2,(H2,16,17);1H
InChIKeyWXQHVNUXGORSGS-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.09
Rot. Bonds

About 13-oxa-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,7,9,11,14,16-heptaen-3-amine;hydrochloride

13-oxa-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,7,9,11,14,16-heptaen-3-amine;hydrochloride (PubChem CID 21153930) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is 13-oxa-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,7,9,11,14,16-heptaen-3-amine;hydrochloride.

Molecular Properties

Compound Name13-oxa-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,7,9,11,14,16-heptaen-3-amine;hydrochloride
PubChem CID21153930
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name13-oxa-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,7,9,11,14,16-heptaen-3-amine;hydrochloride
SMILESCl.NC1=NCC2c3ccccc3Oc3ccccc3N12
InChIInChI=1S/C15H13N3O.ClH/c16-15-17-9-12-10-5-1-3-7-13(10)19-14-8-4-2-6-11(14)18(12)15;/h1-8,12H,9H2,(H2,16,17);1H
InChIKeyWXQHVNUXGORSGS-UHFFFAOYSA-N
XLogP3.09
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 13-oxa-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,7,9,11,14,16-heptaen-3-amine;hydrochloride with MolForge

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Related Compounds

(6R)-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,7,9,11,14,16-heptaen-3-amine;hydrochloride
CID 15629773
2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,7,9,11,14,16-heptaen-3-amine
CID 3241
3-amino-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,7,9,11,14,16-heptaen-13-one
CID 71306710
5-(2-bromophenyl)-1-(2-chlorophenyl)-4,5-dihydroimidazol-2-amine
CID 79505348
5-(1,3-dimethylpyrazol-4-yl)-1-(2-methylphenyl)-4,5-dihydroimidazol-2-amine
CID 83094007
16-chloro-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,7,9,11,15,17-heptaen-3-amine
CID 20552898
14-oxa-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene
CID 21258045
16-chloro-13-thia-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,7,9,11,15,17-heptaen-3-amine;hydrobromide
CID 20552843
1-(2-bromophenyl)-5-(4-bromophenyl)-4,5-dihydroimidazol-2-amine
CID 79515071
1-(2-chlorophenyl)-5-(2,5-dimethylthiophen-3-yl)-4,5-dihydroimidazol-2-amine
CID 79505801
1-(2-chlorophenyl)-5-(1,5-dimethylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine
CID 79595255
1-(2-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine
CID 79514402

Frequently Asked Questions

What is the IUPAC name of 13-oxa-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,7,9,11,14,16-heptaen-3-amine;hydrochloride?
The IUPAC name of 13-oxa-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,7,9,11,14,16-heptaen-3-amine;hydrochloride (CID 21153930) is 13-oxa-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,7,9,11,14,16-heptaen-3-amine;hydrochloride.
What is the SMILES notation for 13-oxa-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,7,9,11,14,16-heptaen-3-amine;hydrochloride?
The canonical SMILES for 13-oxa-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,7,9,11,14,16-heptaen-3-amine;hydrochloride is Cl.NC1=NCC2c3ccccc3Oc3ccccc3N12.
What is the InChIKey of 13-oxa-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,7,9,11,14,16-heptaen-3-amine;hydrochloride?
The InChIKey is WXQHVNUXGORSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O.ClH/c16-15-17-9-12-10-5-1-3-7-13(10)19-14-8-4-2-6-11(14)18(12)15;/h1-8,12H,9H2,(H2,16,17);1H.
What are the key properties of 13-oxa-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,7,9,11,14,16-heptaen-3-amine;hydrochloride?
13-oxa-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,7,9,11,14,16-heptaen-3-amine;hydrochloride has a molecular weight of 287.75 g/mol, XLogP of 3.09, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-oxa-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,7,9,11,14,16-heptaen-3-amine;hydrochloride is sourced from PubChem (CID 21153930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).