CID 97038251

C26H18N4O — CID 97038251

IUPAC—
SMILESCN1CC(C#N)(C#N)C2(c3ccccc3-c3ccccc32)[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C26H18N4O/c1-30-16-24(14-27,15-28)25(26(30)21-12-6-7-13-22(21)29-23(26)31)19-10-4-2-8-17(19)18-9-3-5-11-20(18)25/h2-13H,16H2,1H3,(H,29,31)/t26-/m1/s1
InChIKeyQQCMBVBYUQQDQX-AREMUKBSSA-N
MW402.46 g/mol
LogP3.78
Rot. Bonds

About CID 97038251

CID 97038251 (PubChem CID 97038251) has the molecular formula C26H18N4O and a molecular weight of 402.46 g/mol.

Molecular Properties

Compound NameCID 97038251
PubChem CID97038251
Molecular FormulaC26H18N4O
Molecular Weight402.46 g/mol
Exact Mass402.15
IUPAC Name—
SMILESCN1CC(C#N)(C#N)C2(c3ccccc3-c3ccccc32)[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C26H18N4O/c1-30-16-24(14-27,15-28)25(26(30)21-12-6-7-13-22(21)29-23(26)31)19-10-4-2-8-17(19)18-9-3-5-11-20(18)25/h2-13H,16H2,1H3,(H,29,31)/t26-/m1/s1
InChIKeyQQCMBVBYUQQDQX-AREMUKBSSA-N
XLogP3.78
TPSA79.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 97038251?
The IUPAC name of CID 97038251 (CID 97038251) is not available.
What is the SMILES notation for CID 97038251?
The canonical SMILES for CID 97038251 is CN1CC(C#N)(C#N)C2(c3ccccc3-c3ccccc32)[C@@]12C(=O)Nc1ccccc12.
What is the InChIKey of CID 97038251?
The InChIKey is QQCMBVBYUQQDQX-AREMUKBSSA-N. The full InChI is InChI=1S/C26H18N4O/c1-30-16-24(14-27,15-28)25(26(30)21-12-6-7-13-22(21)29-23(26)31)19-10-4-2-8-17(19)18-9-3-5-11-20(18)25/h2-13H,16H2,1H3,(H,29,31)/t26-/m1/s1.
What are the key properties of CID 97038251?
CID 97038251 has a molecular weight of 402.46 g/mol, XLogP of 3.78, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 97038251 is sourced from PubChem (CID 97038251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).