5-amino-11-chlorospiro[2,6,14,16-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),3,5,7,11-pentaene-15,1'-cyclohexane]-13,17-dione

C18H18ClN5O2 — CID 155035071

IUPAC5-amino-11-chlorospiro[2,6,14,16-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),3,5,7,11-pentaene-15,1'-cyclohexane]-13,17-dione
SMILESNc1cc2c(cn1)Cc1c(Cl)c3n(c(=O)c1N2)C1(CCCCC1)NC3=O
InChIInChI=1S/C18H18ClN5O2/c19-13-10-6-9-8-21-12(20)7-11(9)22-14(10)17(26)24-15(13)16(25)23-18(24)4-2-1-3-5-18/h7-8,22H,1-6H2,(H2,20,21)(H,23,25)
InChIKeyCVWNTOIRTZKCSL-UHFFFAOYSA-N
MW371.83 g/mol
LogP2.49
Rot. Bonds

About 5-amino-11-chlorospiro[2,6,14,16-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),3,5,7,11-pentaene-15,1'-cyclohexane]-13,17-dione

5-amino-11-chlorospiro[2,6,14,16-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),3,5,7,11-pentaene-15,1'-cyclohexane]-13,17-dione (PubChem CID 155035071) has the molecular formula C18H18ClN5O2 and a molecular weight of 371.83 g/mol. Its IUPAC name is 5-amino-11-chlorospiro[2,6,14,16-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),3,5,7,11-pentaene-15,1'-cyclohexane]-13,17-dione.

Molecular Properties

Compound Name5-amino-11-chlorospiro[2,6,14,16-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),3,5,7,11-pentaene-15,1'-cyclohexane]-13,17-dione
PubChem CID155035071
Molecular FormulaC18H18ClN5O2
Molecular Weight371.83 g/mol
Exact Mass371.11
IUPAC Name5-amino-11-chlorospiro[2,6,14,16-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),3,5,7,11-pentaene-15,1'-cyclohexane]-13,17-dione
SMILESNc1cc2c(cn1)Cc1c(Cl)c3n(c(=O)c1N2)C1(CCCCC1)NC3=O
InChIInChI=1S/C18H18ClN5O2/c19-13-10-6-9-8-21-12(20)7-11(9)22-14(10)17(26)24-15(13)16(25)23-18(24)4-2-1-3-5-18/h7-8,22H,1-6H2,(H2,20,21)(H,23,25)
InChIKeyCVWNTOIRTZKCSL-UHFFFAOYSA-N
XLogP2.49
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.83
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-amino-11-chlorospiro[2,6,14,16-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),3,5,7,11-pentaene-15,1'-cyclohexane]-13,17-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-amino-11-chlorospiro[2,6,14,16-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),3,5,7,11-pentaene-15,1'-cyclohexane]-13,17-dione?
The IUPAC name of 5-amino-11-chlorospiro[2,6,14,16-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),3,5,7,11-pentaene-15,1'-cyclohexane]-13,17-dione (CID 155035071) is 5-amino-11-chlorospiro[2,6,14,16-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),3,5,7,11-pentaene-15,1'-cyclohexane]-13,17-dione.
What is the SMILES notation for 5-amino-11-chlorospiro[2,6,14,16-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),3,5,7,11-pentaene-15,1'-cyclohexane]-13,17-dione?
The canonical SMILES for 5-amino-11-chlorospiro[2,6,14,16-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),3,5,7,11-pentaene-15,1'-cyclohexane]-13,17-dione is Nc1cc2c(cn1)Cc1c(Cl)c3n(c(=O)c1N2)C1(CCCCC1)NC3=O.
What is the InChIKey of 5-amino-11-chlorospiro[2,6,14,16-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),3,5,7,11-pentaene-15,1'-cyclohexane]-13,17-dione?
The InChIKey is CVWNTOIRTZKCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O2/c19-13-10-6-9-8-21-12(20)7-11(9)22-14(10)17(26)24-15(13)16(25)23-18(24)4-2-1-3-5-18/h7-8,22H,1-6H2,(H2,20,21)(H,23,25).
What are the key properties of 5-amino-11-chlorospiro[2,6,14,16-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),3,5,7,11-pentaene-15,1'-cyclohexane]-13,17-dione?
5-amino-11-chlorospiro[2,6,14,16-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),3,5,7,11-pentaene-15,1'-cyclohexane]-13,17-dione has a molecular weight of 371.83 g/mol, XLogP of 2.49, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-11-chlorospiro[2,6,14,16-tetrazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),3,5,7,11-pentaene-15,1'-cyclohexane]-13,17-dione is sourced from PubChem (CID 155035071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).