CID 140897865

C23H27N3O2 — CID 140897865

IUPAC—
SMILES[2H]C1([2H])OC(N)=N[C@@]12c1cc(-c3ccccn3)ccc1C[C@@]21CC[C@H](OC)[C@@H](C)C1
InChIInChI=1S/C23H27N3O2/c1-15-12-22(9-8-20(15)27-2)13-17-7-6-16(19-5-3-4-10-25-19)11-18(17)23(22)14-28-21(24)26-23/h3-7,10-11,15,20H,8-9,12-14H2,1-2H3,(H2,24,26)/t15-,20-,22-,23+/m0/s1/i14D2
InChIKeyFFQFADMLDWORMT-MJVQVWTKSA-N
MW379.50 g/mol
LogP3.67
Rot. Bonds2

About CID 140897865

CID 140897865 (PubChem CID 140897865) has the molecular formula C23H27N3O2 and a molecular weight of 379.50 g/mol.

Molecular Properties

Compound NameCID 140897865
PubChem CID140897865
Molecular FormulaC23H27N3O2
Molecular Weight379.50 g/mol
Exact Mass379.22
IUPAC Name—
SMILES[2H]C1([2H])OC(N)=N[C@@]12c1cc(-c3ccccn3)ccc1C[C@@]21CC[C@H](OC)[C@@H](C)C1
InChIInChI=1S/C23H27N3O2/c1-15-12-22(9-8-20(15)27-2)13-17-7-6-16(19-5-3-4-10-25-19)11-18(17)23(22)14-28-21(24)26-23/h3-7,10-11,15,20H,8-9,12-14H2,1-2H3,(H2,24,26)/t15-,20-,22-,23+/m0/s1/i14D2
InChIKeyFFQFADMLDWORMT-MJVQVWTKSA-N
XLogP3.67
TPSA69.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 140897865?
The IUPAC name of CID 140897865 (CID 140897865) is not available.
What is the SMILES notation for CID 140897865?
The canonical SMILES for CID 140897865 is [2H]C1([2H])OC(N)=N[C@@]12c1cc(-c3ccccn3)ccc1C[C@@]21CC[C@H](OC)[C@@H](C)C1.
What is the InChIKey of CID 140897865?
The InChIKey is FFQFADMLDWORMT-MJVQVWTKSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-15-12-22(9-8-20(15)27-2)13-17-7-6-16(19-5-3-4-10-25-19)11-18(17)23(22)14-28-21(24)26-23/h3-7,10-11,15,20H,8-9,12-14H2,1-2H3,(H2,24,26)/t15-,20-,22-,23+/m0/s1/i14D2.
What are the key properties of CID 140897865?
CID 140897865 has a molecular weight of 379.50 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140897865 is sourced from PubChem (CID 140897865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).