CID 58197303

C23H25N3O3 — CID 58197303

IUPAC—
SMILESCOC1CCC2(CC1)Oc1ccc(-c3ccccc3)cc1C21N=C(N)N(C)C1=O
InChIInChI=1S/C23H25N3O3/c1-26-20(27)23(25-21(26)24)18-14-16(15-6-4-3-5-7-15)8-9-19(18)29-22(23)12-10-17(28-2)11-13-22/h3-9,14,17H,10-13H2,1-2H3,(H2,24,25)
InChIKeyVCBWNXHWXUEHCC-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.06
Rot. Bonds2

About CID 58197303

CID 58197303 (PubChem CID 58197303) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol.

Molecular Properties

Compound NameCID 58197303
PubChem CID58197303
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name—
SMILESCOC1CCC2(CC1)Oc1ccc(-c3ccccc3)cc1C21N=C(N)N(C)C1=O
InChIInChI=1S/C23H25N3O3/c1-26-20(27)23(25-21(26)24)18-14-16(15-6-4-3-5-7-15)8-9-19(18)29-22(23)12-10-17(28-2)11-13-22/h3-9,14,17H,10-13H2,1-2H3,(H2,24,25)
InChIKeyVCBWNXHWXUEHCC-UHFFFAOYSA-N
XLogP3.06
TPSA77.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 58197303?
The IUPAC name of CID 58197303 (CID 58197303) is not available.
What is the SMILES notation for CID 58197303?
The canonical SMILES for CID 58197303 is COC1CCC2(CC1)Oc1ccc(-c3ccccc3)cc1C21N=C(N)N(C)C1=O.
What is the InChIKey of CID 58197303?
The InChIKey is VCBWNXHWXUEHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-26-20(27)23(25-21(26)24)18-14-16(15-6-4-3-5-7-15)8-9-19(18)29-22(23)12-10-17(28-2)11-13-22/h3-9,14,17H,10-13H2,1-2H3,(H2,24,25).
What are the key properties of CID 58197303?
CID 58197303 has a molecular weight of 391.47 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58197303 is sourced from PubChem (CID 58197303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).