14-methoxy-4,8,18-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12(17),13,15-heptaen-9-one

C16H13N3O2 — CID 24828984

IUPAC14-methoxy-4,8,18-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12(17),13,15-heptaen-9-one
SMILESCOc1ccc2[nH]c3c(c2c1)CC(=O)Nc1ccncc1-3
InChIInChI=1S/C16H13N3O2/c1-21-9-2-3-13-10(6-9)11-7-15(20)18-14-4-5-17-8-12(14)16(11)19-13/h2-6,8,19H,7H2,1H3,(H,18,20)
InChIKeyHNGSMPZLGYDZOV-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.73
Rot. Bonds1

About 14-methoxy-4,8,18-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12(17),13,15-heptaen-9-one

14-methoxy-4,8,18-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12(17),13,15-heptaen-9-one (PubChem CID 24828984) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 14-methoxy-4,8,18-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12(17),13,15-heptaen-9-one.

Molecular Properties

Compound Name14-methoxy-4,8,18-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12(17),13,15-heptaen-9-one
PubChem CID24828984
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name14-methoxy-4,8,18-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12(17),13,15-heptaen-9-one
SMILESCOc1ccc2[nH]c3c(c2c1)CC(=O)Nc1ccncc1-3
InChIInChI=1S/C16H13N3O2/c1-21-9-2-3-13-10(6-9)11-7-15(20)18-14-4-5-17-8-12(14)16(11)19-13/h2-6,8,19H,7H2,1H3,(H,18,20)
InChIKeyHNGSMPZLGYDZOV-UHFFFAOYSA-N
XLogP2.73
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 14-methoxy-4,8,18-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12(17),13,15-heptaen-9-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-methoxy-4,8,18-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12(17),13,15-heptaen-9-one?
The IUPAC name of 14-methoxy-4,8,18-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12(17),13,15-heptaen-9-one (CID 24828984) is 14-methoxy-4,8,18-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12(17),13,15-heptaen-9-one.
What is the SMILES notation for 14-methoxy-4,8,18-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12(17),13,15-heptaen-9-one?
The canonical SMILES for 14-methoxy-4,8,18-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12(17),13,15-heptaen-9-one is COc1ccc2[nH]c3c(c2c1)CC(=O)Nc1ccncc1-3.
What is the InChIKey of 14-methoxy-4,8,18-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12(17),13,15-heptaen-9-one?
The InChIKey is HNGSMPZLGYDZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-21-9-2-3-13-10(6-9)11-7-15(20)18-14-4-5-17-8-12(14)16(11)19-13/h2-6,8,19H,7H2,1H3,(H,18,20).
What are the key properties of 14-methoxy-4,8,18-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12(17),13,15-heptaen-9-one?
14-methoxy-4,8,18-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12(17),13,15-heptaen-9-one has a molecular weight of 279.30 g/mol, XLogP of 2.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methoxy-4,8,18-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12(17),13,15-heptaen-9-one is sourced from PubChem (CID 24828984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).