3-chloro-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2(7),3,5-triene

C14H17ClN2 — CID 102894992

IUPAC3-chloro-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2(7),3,5-triene
SMILESClc1cccc2c1N1CC3CCCC3C1CN2
InChIInChI=1S/C14H17ClN2/c15-11-5-2-6-12-14(11)17-8-9-3-1-4-10(9)13(17)7-16-12/h2,5-6,9-10,13,16H,1,3-4,7-8H2
InChIKeyGAJOHGUQQGAPAJ-UHFFFAOYSA-N
MW248.76 g/mol
LogP3.37
Rot. Bonds

About 3-chloro-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2(7),3,5-triene

3-chloro-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2(7),3,5-triene (PubChem CID 102894992) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is 3-chloro-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2(7),3,5-triene.

Molecular Properties

Compound Name3-chloro-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2(7),3,5-triene
PubChem CID102894992
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC Name3-chloro-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2(7),3,5-triene
SMILESClc1cccc2c1N1CC3CCCC3C1CN2
InChIInChI=1S/C14H17ClN2/c15-11-5-2-6-12-14(11)17-8-9-3-1-4-10(9)13(17)7-16-12/h2,5-6,9-10,13,16H,1,3-4,7-8H2
InChIKeyGAJOHGUQQGAPAJ-UHFFFAOYSA-N
XLogP3.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-chloro-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2(7),3,5-triene with MolForge

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Related Compounds

1,5,8-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-2(7),3,5-triene
CID 102894993
4,5-dimethoxy-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-triene
CID 102894976
10-chloro-1,2,4,4a,5,6-hexahydro-[1,4]thiazino[4,3-a]quinoxaline
CID 82908449
3-methyl-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-trien-9-one
CID 102894958
(3aS)-9-chloro-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one
CID 124511746
6-methyl-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-trien-9-one
CID 114041955
8-chloro-2-cyclopropyl-3,4-dihydro-2H-1,4-benzoxazine
CID 170730200
2-(4-chloro-2,3-dihydro-1H-indol-3-yl)ethanol
CID 117199882
8-chloro-9-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline
CID 84624318
3-(azetidin-1-yl)-8-chloro-1,2,3,4-tetrahydroquinoline
CID 105480170
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-chlorobenzaldehyde
CID 114067019
2-(2,6-dichlorophenyl)sulfonyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine;hydrochloride
CID 120584113

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2(7),3,5-triene?
The IUPAC name of 3-chloro-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2(7),3,5-triene (CID 102894992) is 3-chloro-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2(7),3,5-triene.
What is the SMILES notation for 3-chloro-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2(7),3,5-triene?
The canonical SMILES for 3-chloro-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2(7),3,5-triene is Clc1cccc2c1N1CC3CCCC3C1CN2.
What is the InChIKey of 3-chloro-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2(7),3,5-triene?
The InChIKey is GAJOHGUQQGAPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2/c15-11-5-2-6-12-14(11)17-8-9-3-1-4-10(9)13(17)7-16-12/h2,5-6,9-10,13,16H,1,3-4,7-8H2.
What are the key properties of 3-chloro-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2(7),3,5-triene?
3-chloro-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2(7),3,5-triene has a molecular weight of 248.76 g/mol, XLogP of 3.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2(7),3,5-triene is sourced from PubChem (CID 102894992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).