CID 58197218

C23H27N3O2 — CID 58197218

IUPAC—
SMILESCOC1CCC2(CC1)Cc1ccc(C#CC3CC3)cc1[C@@]21N=C(N)N(C)C1=O
InChIInChI=1S/C23H27N3O2/c1-26-20(27)23(25-21(26)24)19-13-16(6-5-15-3-4-15)7-8-17(19)14-22(23)11-9-18(28-2)10-12-22/h7-8,13,15,18H,3-4,9-12,14H2,1-2H3,(H2,24,25)/t18?,22?,23-/m0/s1
InChIKeyUSHFPDQMSUANTM-CKRJSAQMSA-N
MW377.49 g/mol
LogP2.56
Rot. Bonds1

About CID 58197218

CID 58197218 (PubChem CID 58197218) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol.

Molecular Properties

Compound NameCID 58197218
PubChem CID58197218
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name—
SMILESCOC1CCC2(CC1)Cc1ccc(C#CC3CC3)cc1[C@@]21N=C(N)N(C)C1=O
InChIInChI=1S/C23H27N3O2/c1-26-20(27)23(25-21(26)24)19-13-16(6-5-15-3-4-15)7-8-17(19)14-22(23)11-9-18(28-2)10-12-22/h7-8,13,15,18H,3-4,9-12,14H2,1-2H3,(H2,24,25)/t18?,22?,23-/m0/s1
InChIKeyUSHFPDQMSUANTM-CKRJSAQMSA-N
XLogP2.56
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze CID 58197218 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 58197218?
The IUPAC name of CID 58197218 (CID 58197218) is not available.
What is the SMILES notation for CID 58197218?
The canonical SMILES for CID 58197218 is COC1CCC2(CC1)Cc1ccc(C#CC3CC3)cc1[C@@]21N=C(N)N(C)C1=O.
What is the InChIKey of CID 58197218?
The InChIKey is USHFPDQMSUANTM-CKRJSAQMSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-26-20(27)23(25-21(26)24)19-13-16(6-5-15-3-4-15)7-8-17(19)14-22(23)11-9-18(28-2)10-12-22/h7-8,13,15,18H,3-4,9-12,14H2,1-2H3,(H2,24,25)/t18?,22?,23-/m0/s1.
What are the key properties of CID 58197218?
CID 58197218 has a molecular weight of 377.49 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58197218 is sourced from PubChem (CID 58197218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).