15-chloro-2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaen-9-one

C14H8ClN3O — CID 164853578

IUPAC15-chloro-2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaen-9-one
SMILESO=c1c2cccnc2nc2n1-c1cccc(Cl)c1C2
InChIInChI=1S/C14H8ClN3O/c15-10-4-1-5-11-9(10)7-12-17-13-8(3-2-6-16-13)14(19)18(11)12/h1-6H,7H2
InChIKeyGYTRYVOLEZJAKM-UHFFFAOYSA-N
MW269.69 g/mol
LogP2.34
Rot. Bonds

About 15-chloro-2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaen-9-one

15-chloro-2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaen-9-one (PubChem CID 164853578) has the molecular formula C14H8ClN3O and a molecular weight of 269.69 g/mol. Its IUPAC name is 15-chloro-2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaen-9-one.

Molecular Properties

Compound Name15-chloro-2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaen-9-one
PubChem CID164853578
Molecular FormulaC14H8ClN3O
Molecular Weight269.69 g/mol
Exact Mass269.04
IUPAC Name15-chloro-2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaen-9-one
SMILESO=c1c2cccnc2nc2n1-c1cccc(Cl)c1C2
InChIInChI=1S/C14H8ClN3O/c15-10-4-1-5-11-9(10)7-12-17-13-8(3-2-6-16-13)14(19)18(11)12/h1-6H,7H2
InChIKeyGYTRYVOLEZJAKM-UHFFFAOYSA-N
XLogP2.34
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.69
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 15-chloro-2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaen-9-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-chloro-2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaen-9-one?
The IUPAC name of 15-chloro-2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaen-9-one (CID 164853578) is 15-chloro-2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaen-9-one.
What is the SMILES notation for 15-chloro-2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaen-9-one?
The canonical SMILES for 15-chloro-2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaen-9-one is O=c1c2cccnc2nc2n1-c1cccc(Cl)c1C2.
What is the InChIKey of 15-chloro-2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaen-9-one?
The InChIKey is GYTRYVOLEZJAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClN3O/c15-10-4-1-5-11-9(10)7-12-17-13-8(3-2-6-16-13)14(19)18(11)12/h1-6H,7H2.
What are the key properties of 15-chloro-2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaen-9-one?
15-chloro-2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaen-9-one has a molecular weight of 269.69 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-chloro-2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaen-9-one is sourced from PubChem (CID 164853578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).