CID 59558647

C26H26N4O2 — CID 59558647

IUPAC—
SMILESCC(C)Oc1ccc(-c2cc3c(cn2)CCc2c-3[nH]c3c2C(=O)NC2(CC2)C32CC2)cn1
InChIInChI=1S/C26H26N4O2/c1-14(2)32-20-6-4-16(13-28-20)19-11-18-15(12-27-19)3-5-17-21-23(29-22(17)18)25(7-8-25)26(9-10-26)30-24(21)31/h4,6,11-14,29H,3,5,7-10H2,1-2H3,(H,30,31)
InChIKeyMJRXRLASXROAED-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.33
Rot. Bonds3

About CID 59558647

CID 59558647 (PubChem CID 59558647) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol.

Molecular Properties

Compound NameCID 59558647
PubChem CID59558647
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name—
SMILESCC(C)Oc1ccc(-c2cc3c(cn2)CCc2c-3[nH]c3c2C(=O)NC2(CC2)C32CC2)cn1
InChIInChI=1S/C26H26N4O2/c1-14(2)32-20-6-4-16(13-28-20)19-11-18-15(12-27-19)3-5-17-21-23(29-22(17)18)25(7-8-25)26(9-10-26)30-24(21)31/h4,6,11-14,29H,3,5,7-10H2,1-2H3,(H,30,31)
InChIKeyMJRXRLASXROAED-UHFFFAOYSA-N
XLogP4.33
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 59558647?
The IUPAC name of CID 59558647 (CID 59558647) is not available.
What is the SMILES notation for CID 59558647?
The canonical SMILES for CID 59558647 is CC(C)Oc1ccc(-c2cc3c(cn2)CCc2c-3[nH]c3c2C(=O)NC2(CC2)C32CC2)cn1.
What is the InChIKey of CID 59558647?
The InChIKey is MJRXRLASXROAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-14(2)32-20-6-4-16(13-28-20)19-11-18-15(12-27-19)3-5-17-21-23(29-22(17)18)25(7-8-25)26(9-10-26)30-24(21)31/h4,6,11-14,29H,3,5,7-10H2,1-2H3,(H,30,31).
What are the key properties of CID 59558647?
CID 59558647 has a molecular weight of 426.52 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59558647 is sourced from PubChem (CID 59558647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).