6-(15-chloro-10-methyl-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl)-2,7-dioxa-5-azaspiro[3.4]oct-5-ene

C19H16ClN5O2 — CID 169216435

IUPAC6-(15-chloro-10-methyl-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl)-2,7-dioxa-5-azaspiro[3.4]oct-5-ene
SMILESCn1cc2c(n1)-c1cc(Cl)ccc1-n1cnc(C3=NC4(COC4)CO3)c1C2
InChIInChI=1S/C19H16ClN5O2/c1-24-6-11-4-15-17(18-22-19(9-27-18)7-26-8-19)21-10-25(15)14-3-2-12(20)5-13(14)16(11)23-24/h2-3,5-6,10H,4,7-9H2,1H3
InChIKeyHZGNJCCAEBXLNT-UHFFFAOYSA-N
MW381.82 g/mol
LogP2.38
Rot. Bonds1

About 6-(15-chloro-10-methyl-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl)-2,7-dioxa-5-azaspiro[3.4]oct-5-ene

6-(15-chloro-10-methyl-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl)-2,7-dioxa-5-azaspiro[3.4]oct-5-ene (PubChem CID 169216435) has the molecular formula C19H16ClN5O2 and a molecular weight of 381.82 g/mol. Its IUPAC name is 6-(15-chloro-10-methyl-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl)-2,7-dioxa-5-azaspiro[3.4]oct-5-ene.

Molecular Properties

Compound Name6-(15-chloro-10-methyl-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl)-2,7-dioxa-5-azaspiro[3.4]oct-5-ene
PubChem CID169216435
Molecular FormulaC19H16ClN5O2
Molecular Weight381.82 g/mol
Exact Mass381.10
IUPAC Name6-(15-chloro-10-methyl-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl)-2,7-dioxa-5-azaspiro[3.4]oct-5-ene
SMILESCn1cc2c(n1)-c1cc(Cl)ccc1-n1cnc(C3=NC4(COC4)CO3)c1C2
InChIInChI=1S/C19H16ClN5O2/c1-24-6-11-4-15-17(18-22-19(9-27-18)7-26-8-19)21-10-25(15)14-3-2-12(20)5-13(14)16(11)23-24/h2-3,5-6,10H,4,7-9H2,1H3
InChIKeyHZGNJCCAEBXLNT-UHFFFAOYSA-N
XLogP2.38
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(15-chloro-10-methyl-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl)-2,7-dioxa-5-azaspiro[3.4]oct-5-ene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(15-chloro-10-methyl-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl)-2,7-dioxa-5-azaspiro[3.4]oct-5-ene?
The IUPAC name of 6-(15-chloro-10-methyl-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl)-2,7-dioxa-5-azaspiro[3.4]oct-5-ene (CID 169216435) is 6-(15-chloro-10-methyl-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl)-2,7-dioxa-5-azaspiro[3.4]oct-5-ene.
What is the SMILES notation for 6-(15-chloro-10-methyl-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl)-2,7-dioxa-5-azaspiro[3.4]oct-5-ene?
The canonical SMILES for 6-(15-chloro-10-methyl-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl)-2,7-dioxa-5-azaspiro[3.4]oct-5-ene is Cn1cc2c(n1)-c1cc(Cl)ccc1-n1cnc(C3=NC4(COC4)CO3)c1C2.
What is the InChIKey of 6-(15-chloro-10-methyl-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl)-2,7-dioxa-5-azaspiro[3.4]oct-5-ene?
The InChIKey is HZGNJCCAEBXLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O2/c1-24-6-11-4-15-17(18-22-19(9-27-18)7-26-8-19)21-10-25(15)14-3-2-12(20)5-13(14)16(11)23-24/h2-3,5-6,10H,4,7-9H2,1H3.
What are the key properties of 6-(15-chloro-10-methyl-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl)-2,7-dioxa-5-azaspiro[3.4]oct-5-ene?
6-(15-chloro-10-methyl-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl)-2,7-dioxa-5-azaspiro[3.4]oct-5-ene has a molecular weight of 381.82 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(15-chloro-10-methyl-2,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,8,11,14,16-heptaen-5-yl)-2,7-dioxa-5-azaspiro[3.4]oct-5-ene is sourced from PubChem (CID 169216435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).