15-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,7,9(17),10,12,14-octaen-6-one

C17H11NO — CID 130404599

IUPAC15-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,7,9(17),10,12,14-octaen-6-one
SMILESCc1cc2c3c(cc4cccc(n1)c42)C(=O)C=CC=3
InChIInChI=1S/C17H11NO/c1-10-8-14-12-5-3-7-16(19)13(12)9-11-4-2-6-15(18-10)17(11)14/h2-9H,1H3
InChIKeyCLOFUOUQDDLLSG-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.95
Rot. Bonds

About 15-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,7,9(17),10,12,14-octaen-6-one

15-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,7,9(17),10,12,14-octaen-6-one (PubChem CID 130404599) has the molecular formula C17H11NO and a molecular weight of 245.28 g/mol. Its IUPAC name is 15-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,7,9(17),10,12,14-octaen-6-one.

Molecular Properties

Compound Name15-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,7,9(17),10,12,14-octaen-6-one
PubChem CID130404599
Molecular FormulaC17H11NO
Molecular Weight245.28 g/mol
Exact Mass245.08
IUPAC Name15-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,7,9(17),10,12,14-octaen-6-one
SMILESCc1cc2c3c(cc4cccc(n1)c42)C(=O)C=CC=3
InChIInChI=1S/C17H11NO/c1-10-8-14-12-5-3-7-16(19)13(12)9-11-4-2-6-15(18-10)17(11)14/h2-9H,1H3
InChIKeyCLOFUOUQDDLLSG-UHFFFAOYSA-N
XLogP2.95
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 15-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,7,9(17),10,12,14-octaen-6-one?
The IUPAC name of 15-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,7,9(17),10,12,14-octaen-6-one (CID 130404599) is 15-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,7,9(17),10,12,14-octaen-6-one.
What is the SMILES notation for 15-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,7,9(17),10,12,14-octaen-6-one?
The canonical SMILES for 15-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,7,9(17),10,12,14-octaen-6-one is Cc1cc2c3c(cc4cccc(n1)c42)C(=O)C=CC=3.
What is the InChIKey of 15-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,7,9(17),10,12,14-octaen-6-one?
The InChIKey is CLOFUOUQDDLLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO/c1-10-8-14-12-5-3-7-16(19)13(12)9-11-4-2-6-15(18-10)17(11)14/h2-9H,1H3.
What are the key properties of 15-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,7,9(17),10,12,14-octaen-6-one?
15-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,7,9(17),10,12,14-octaen-6-one has a molecular weight of 245.28 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,7,9(17),10,12,14-octaen-6-one is sourced from PubChem (CID 130404599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).