14-methoxy-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one

C19H19N5O2 — CID 138458652

IUPAC14-methoxy-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one
SMILESCOc1ccc2c(c1)C(=O)Nc1cccc(n1)-c1nncn1CCCC2
InChIInChI=1S/C19H19N5O2/c1-26-14-9-8-13-5-2-3-10-24-12-20-23-18(24)16-6-4-7-17(21-16)22-19(25)15(13)11-14/h4,6-9,11-12H,2-3,5,10H2,1H3,(H,21,22,25)
InChIKeyAGLGQQWYCZCPDM-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.94
Rot. Bonds1

About 14-methoxy-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one

14-methoxy-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one (PubChem CID 138458652) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 14-methoxy-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one.

Molecular Properties

Compound Name14-methoxy-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one
PubChem CID138458652
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name14-methoxy-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one
SMILESCOc1ccc2c(c1)C(=O)Nc1cccc(n1)-c1nncn1CCCC2
InChIInChI=1S/C19H19N5O2/c1-26-14-9-8-13-5-2-3-10-24-12-20-23-18(24)16-6-4-7-17(21-16)22-19(25)15(13)11-14/h4,6-9,11-12H,2-3,5,10H2,1H3,(H,21,22,25)
InChIKeyAGLGQQWYCZCPDM-UHFFFAOYSA-N
XLogP2.94
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 14-methoxy-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-methoxy-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one?
The IUPAC name of 14-methoxy-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one (CID 138458652) is 14-methoxy-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one.
What is the SMILES notation for 14-methoxy-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one?
The canonical SMILES for 14-methoxy-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one is COc1ccc2c(c1)C(=O)Nc1cccc(n1)-c1nncn1CCCC2.
What is the InChIKey of 14-methoxy-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one?
The InChIKey is AGLGQQWYCZCPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-26-14-9-8-13-5-2-3-10-24-12-20-23-18(24)16-6-4-7-17(21-16)22-19(25)15(13)11-14/h4,6-9,11-12H,2-3,5,10H2,1H3,(H,21,22,25).
What are the key properties of 14-methoxy-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one?
14-methoxy-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one has a molecular weight of 349.39 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methoxy-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one is sourced from PubChem (CID 138458652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).