6-methoxy-9,14-dimethyl-2,9,14,20,22-pentazatetracyclo[16.6.1.13,7.021,25]hexacosa-1(25),3(26),4,6,18,21,23-heptaen-13-one

C24H31N5O2 — CID 71030431

IUPAC6-methoxy-9,14-dimethyl-2,9,14,20,22-pentazatetracyclo[16.6.1.13,7.021,25]hexacosa-1(25),3(26),4,6,18,21,23-heptaen-13-one
SMILESCOc1ccc2cc1CN(C)CCCC(=O)N(C)CCCc1c[nH]c3nccc(c13)N2
InChIInChI=1S/C24H31N5O2/c1-28-12-5-7-22(30)29(2)13-4-6-17-15-26-24-23(17)20(10-11-25-24)27-19-8-9-21(31-3)18(14-19)16-28/h8-11,14-15,27H,4-7,12-13,16H2,1-3H3,(H,25,26)
InChIKeyKDOSLSAFVUWSDE-UHFFFAOYSA-N
MW421.55 g/mol
LogP3.93
Rot. Bonds1

About 6-methoxy-9,14-dimethyl-2,9,14,20,22-pentazatetracyclo[16.6.1.13,7.021,25]hexacosa-1(25),3(26),4,6,18,21,23-heptaen-13-one

6-methoxy-9,14-dimethyl-2,9,14,20,22-pentazatetracyclo[16.6.1.13,7.021,25]hexacosa-1(25),3(26),4,6,18,21,23-heptaen-13-one (PubChem CID 71030431) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 6-methoxy-9,14-dimethyl-2,9,14,20,22-pentazatetracyclo[16.6.1.13,7.021,25]hexacosa-1(25),3(26),4,6,18,21,23-heptaen-13-one.

Molecular Properties

Compound Name6-methoxy-9,14-dimethyl-2,9,14,20,22-pentazatetracyclo[16.6.1.13,7.021,25]hexacosa-1(25),3(26),4,6,18,21,23-heptaen-13-one
PubChem CID71030431
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC Name6-methoxy-9,14-dimethyl-2,9,14,20,22-pentazatetracyclo[16.6.1.13,7.021,25]hexacosa-1(25),3(26),4,6,18,21,23-heptaen-13-one
SMILESCOc1ccc2cc1CN(C)CCCC(=O)N(C)CCCc1c[nH]c3nccc(c13)N2
InChIInChI=1S/C24H31N5O2/c1-28-12-5-7-22(30)29(2)13-4-6-17-15-26-24-23(17)20(10-11-25-24)27-19-8-9-21(31-3)18(14-19)16-28/h8-11,14-15,27H,4-7,12-13,16H2,1-3H3,(H,25,26)
InChIKeyKDOSLSAFVUWSDE-UHFFFAOYSA-N
XLogP3.93
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-methoxy-9,14-dimethyl-2,9,14,20,22-pentazatetracyclo[16.6.1.13,7.021,25]hexacosa-1(25),3(26),4,6,18,21,23-heptaen-13-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-9,14-dimethyl-2,9,14,20,22-pentazatetracyclo[16.6.1.13,7.021,25]hexacosa-1(25),3(26),4,6,18,21,23-heptaen-13-one?
The IUPAC name of 6-methoxy-9,14-dimethyl-2,9,14,20,22-pentazatetracyclo[16.6.1.13,7.021,25]hexacosa-1(25),3(26),4,6,18,21,23-heptaen-13-one (CID 71030431) is 6-methoxy-9,14-dimethyl-2,9,14,20,22-pentazatetracyclo[16.6.1.13,7.021,25]hexacosa-1(25),3(26),4,6,18,21,23-heptaen-13-one.
What is the SMILES notation for 6-methoxy-9,14-dimethyl-2,9,14,20,22-pentazatetracyclo[16.6.1.13,7.021,25]hexacosa-1(25),3(26),4,6,18,21,23-heptaen-13-one?
The canonical SMILES for 6-methoxy-9,14-dimethyl-2,9,14,20,22-pentazatetracyclo[16.6.1.13,7.021,25]hexacosa-1(25),3(26),4,6,18,21,23-heptaen-13-one is COc1ccc2cc1CN(C)CCCC(=O)N(C)CCCc1c[nH]c3nccc(c13)N2.
What is the InChIKey of 6-methoxy-9,14-dimethyl-2,9,14,20,22-pentazatetracyclo[16.6.1.13,7.021,25]hexacosa-1(25),3(26),4,6,18,21,23-heptaen-13-one?
The InChIKey is KDOSLSAFVUWSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-28-12-5-7-22(30)29(2)13-4-6-17-15-26-24-23(17)20(10-11-25-24)27-19-8-9-21(31-3)18(14-19)16-28/h8-11,14-15,27H,4-7,12-13,16H2,1-3H3,(H,25,26).
What are the key properties of 6-methoxy-9,14-dimethyl-2,9,14,20,22-pentazatetracyclo[16.6.1.13,7.021,25]hexacosa-1(25),3(26),4,6,18,21,23-heptaen-13-one?
6-methoxy-9,14-dimethyl-2,9,14,20,22-pentazatetracyclo[16.6.1.13,7.021,25]hexacosa-1(25),3(26),4,6,18,21,23-heptaen-13-one has a molecular weight of 421.55 g/mol, XLogP of 3.93, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-9,14-dimethyl-2,9,14,20,22-pentazatetracyclo[16.6.1.13,7.021,25]hexacosa-1(25),3(26),4,6,18,21,23-heptaen-13-one is sourced from PubChem (CID 71030431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).