9,15-dimethyl-2,9,14,16,18-pentazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),11,13,15,17-pentaen-8-one

C15H17N5O — CID 175758733

IUPAC9,15-dimethyl-2,9,14,16,18-pentazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),11,13,15,17-pentaen-8-one
SMILESCc1ncc2cc3c(nc2n1)N1CCCCC1C(=O)N3C
InChIInChI=1S/C15H17N5O/c1-9-16-8-10-7-12-14(18-13(10)17-9)20-6-4-3-5-11(20)15(21)19(12)2/h7-8,11H,3-6H2,1-2H3
InChIKeyWBLQFLDAOYRKDH-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.67
Rot. Bonds

About 9,15-dimethyl-2,9,14,16,18-pentazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),11,13,15,17-pentaen-8-one

9,15-dimethyl-2,9,14,16,18-pentazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),11,13,15,17-pentaen-8-one (PubChem CID 175758733) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 9,15-dimethyl-2,9,14,16,18-pentazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),11,13,15,17-pentaen-8-one.

Molecular Properties

Compound Name9,15-dimethyl-2,9,14,16,18-pentazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),11,13,15,17-pentaen-8-one
PubChem CID175758733
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name9,15-dimethyl-2,9,14,16,18-pentazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),11,13,15,17-pentaen-8-one
SMILESCc1ncc2cc3c(nc2n1)N1CCCCC1C(=O)N3C
InChIInChI=1S/C15H17N5O/c1-9-16-8-10-7-12-14(18-13(10)17-9)20-6-4-3-5-11(20)15(21)19(12)2/h7-8,11H,3-6H2,1-2H3
InChIKeyWBLQFLDAOYRKDH-UHFFFAOYSA-N
XLogP1.67
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9,15-dimethyl-2,9,14,16,18-pentazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),11,13,15,17-pentaen-8-one?
The IUPAC name of 9,15-dimethyl-2,9,14,16,18-pentazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),11,13,15,17-pentaen-8-one (CID 175758733) is 9,15-dimethyl-2,9,14,16,18-pentazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),11,13,15,17-pentaen-8-one.
What is the SMILES notation for 9,15-dimethyl-2,9,14,16,18-pentazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),11,13,15,17-pentaen-8-one?
The canonical SMILES for 9,15-dimethyl-2,9,14,16,18-pentazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),11,13,15,17-pentaen-8-one is Cc1ncc2cc3c(nc2n1)N1CCCCC1C(=O)N3C.
What is the InChIKey of 9,15-dimethyl-2,9,14,16,18-pentazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),11,13,15,17-pentaen-8-one?
The InChIKey is WBLQFLDAOYRKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-9-16-8-10-7-12-14(18-13(10)17-9)20-6-4-3-5-11(20)15(21)19(12)2/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 9,15-dimethyl-2,9,14,16,18-pentazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),11,13,15,17-pentaen-8-one?
9,15-dimethyl-2,9,14,16,18-pentazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),11,13,15,17-pentaen-8-one has a molecular weight of 283.33 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9,15-dimethyl-2,9,14,16,18-pentazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),11,13,15,17-pentaen-8-one is sourced from PubChem (CID 175758733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).