CID 58423809

C24H24N4O3 — CID 58423809

IUPAC—
SMILESCN1OC2(CC3(CC4CCC3OC4)Oc3ccc(-c4cccc(C#N)c4)cc32)N=C1N
InChIInChI=1S/C24H24N4O3/c1-28-22(26)27-24(31-28)14-23(11-16-5-8-21(23)29-13-16)30-20-7-6-18(10-19(20)24)17-4-2-3-15(9-17)12-25/h2-4,6-7,9-10,16,21H,5,8,11,13-14H2,1H3,(H2,26,27)
InChIKeyMUVMLEABIFOUMG-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.29
Rot. Bonds1

About CID 58423809

CID 58423809 (PubChem CID 58423809) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol.

Molecular Properties

Compound NameCID 58423809
PubChem CID58423809
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name—
SMILESCN1OC2(CC3(CC4CCC3OC4)Oc3ccc(-c4cccc(C#N)c4)cc32)N=C1N
InChIInChI=1S/C24H24N4O3/c1-28-22(26)27-24(31-28)14-23(11-16-5-8-21(23)29-13-16)30-20-7-6-18(10-19(20)24)17-4-2-3-15(9-17)12-25/h2-4,6-7,9-10,16,21H,5,8,11,13-14H2,1H3,(H2,26,27)
InChIKeyMUVMLEABIFOUMG-UHFFFAOYSA-N
XLogP3.29
TPSA93.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of CID 58423809?
The IUPAC name of CID 58423809 (CID 58423809) is not available.
What is the SMILES notation for CID 58423809?
The canonical SMILES for CID 58423809 is CN1OC2(CC3(CC4CCC3OC4)Oc3ccc(-c4cccc(C#N)c4)cc32)N=C1N.
What is the InChIKey of CID 58423809?
The InChIKey is MUVMLEABIFOUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-28-22(26)27-24(31-28)14-23(11-16-5-8-21(23)29-13-16)30-20-7-6-18(10-19(20)24)17-4-2-3-15(9-17)12-25/h2-4,6-7,9-10,16,21H,5,8,11,13-14H2,1H3,(H2,26,27).
What are the key properties of CID 58423809?
CID 58423809 has a molecular weight of 416.48 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58423809 is sourced from PubChem (CID 58423809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).