CID 58197215

C25H31N3O2 — CID 58197215

IUPAC—
SMILESCOC1CCC2(CC1)Cc1ccc(-c3cc(C)cc(C)c3)cc1C21N=C(N)N(C)O1
InChIInChI=1S/C25H31N3O2/c1-16-11-17(2)13-20(12-16)18-5-6-19-15-24(9-7-21(29-4)8-10-24)25(22(19)14-18)27-23(26)28(3)30-25/h5-6,11-14,21H,7-10,15H2,1-4H3,(H2,26,27)
InChIKeyFYALOILYRKEBCX-UHFFFAOYSA-N
MW405.54 g/mol
LogP4.45
Rot. Bonds2

About CID 58197215

CID 58197215 (PubChem CID 58197215) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol.

Molecular Properties

Compound NameCID 58197215
PubChem CID58197215
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name—
SMILESCOC1CCC2(CC1)Cc1ccc(-c3cc(C)cc(C)c3)cc1C21N=C(N)N(C)O1
InChIInChI=1S/C25H31N3O2/c1-16-11-17(2)13-20(12-16)18-5-6-19-15-24(9-7-21(29-4)8-10-24)25(22(19)14-18)27-23(26)28(3)30-25/h5-6,11-14,21H,7-10,15H2,1-4H3,(H2,26,27)
InChIKeyFYALOILYRKEBCX-UHFFFAOYSA-N
XLogP4.45
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 58197215?
The IUPAC name of CID 58197215 (CID 58197215) is not available.
What is the SMILES notation for CID 58197215?
The canonical SMILES for CID 58197215 is COC1CCC2(CC1)Cc1ccc(-c3cc(C)cc(C)c3)cc1C21N=C(N)N(C)O1.
What is the InChIKey of CID 58197215?
The InChIKey is FYALOILYRKEBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-16-11-17(2)13-20(12-16)18-5-6-19-15-24(9-7-21(29-4)8-10-24)25(22(19)14-18)27-23(26)28(3)30-25/h5-6,11-14,21H,7-10,15H2,1-4H3,(H2,26,27).
What are the key properties of CID 58197215?
CID 58197215 has a molecular weight of 405.54 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58197215 is sourced from PubChem (CID 58197215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).