CID 58197276

C24H27N3O — CID 58197276

IUPAC—
SMILESCN1OC2(N=C1N)c1cc(C3CC3)ccc1CC21CCc2ccccc2CC1
InChIInChI=1S/C24H27N3O/c1-27-22(25)26-24(28-27)21-14-19(18-6-7-18)8-9-20(21)15-23(24)12-10-16-4-2-3-5-17(16)11-13-23/h2-5,8-9,14,18H,6-7,10-13,15H2,1H3,(H2,25,26)
InChIKeyYTKAFLIKICTFHA-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.03
Rot. Bonds1

About CID 58197276

CID 58197276 (PubChem CID 58197276) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol.

Molecular Properties

Compound NameCID 58197276
PubChem CID58197276
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name—
SMILESCN1OC2(N=C1N)c1cc(C3CC3)ccc1CC21CCc2ccccc2CC1
InChIInChI=1S/C24H27N3O/c1-27-22(25)26-24(28-27)21-14-19(18-6-7-18)8-9-20(21)15-23(24)12-10-16-4-2-3-5-17(16)11-13-23/h2-5,8-9,14,18H,6-7,10-13,15H2,1H3,(H2,25,26)
InChIKeyYTKAFLIKICTFHA-UHFFFAOYSA-N
XLogP4.03
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 58197276?
The IUPAC name of CID 58197276 (CID 58197276) is not available.
What is the SMILES notation for CID 58197276?
The canonical SMILES for CID 58197276 is CN1OC2(N=C1N)c1cc(C3CC3)ccc1CC21CCc2ccccc2CC1.
What is the InChIKey of CID 58197276?
The InChIKey is YTKAFLIKICTFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-27-22(25)26-24(28-27)21-14-19(18-6-7-18)8-9-20(21)15-23(24)12-10-16-4-2-3-5-17(16)11-13-23/h2-5,8-9,14,18H,6-7,10-13,15H2,1H3,(H2,25,26).
What are the key properties of CID 58197276?
CID 58197276 has a molecular weight of 373.50 g/mol, XLogP of 4.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58197276 is sourced from PubChem (CID 58197276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).