CID 58424063

C21H29N3O3 — CID 58424063

IUPAC—
SMILESCN1OC2(CC3(CCCOC3)Oc3ccc(C4CCCCC4)cc32)N=C1N
InChIInChI=1S/C21H29N3O3/c1-24-19(22)23-21(27-24)13-20(10-5-11-25-14-20)26-18-9-8-16(12-17(18)21)15-6-3-2-4-7-15/h8-9,12,15H,2-7,10-11,13-14H2,1H3,(H2,22,23)
InChIKeyZZOOISIXSTWSHD-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.41
Rot. Bonds1

About CID 58424063

CID 58424063 (PubChem CID 58424063) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol.

Molecular Properties

Compound NameCID 58424063
PubChem CID58424063
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name—
SMILESCN1OC2(CC3(CCCOC3)Oc3ccc(C4CCCCC4)cc32)N=C1N
InChIInChI=1S/C21H29N3O3/c1-24-19(22)23-21(27-24)13-20(10-5-11-25-14-20)26-18-9-8-16(12-17(18)21)15-6-3-2-4-7-15/h8-9,12,15H,2-7,10-11,13-14H2,1H3,(H2,22,23)
InChIKeyZZOOISIXSTWSHD-UHFFFAOYSA-N
XLogP3.41
TPSA69.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze CID 58424063 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 58424063?
The IUPAC name of CID 58424063 (CID 58424063) is not available.
What is the SMILES notation for CID 58424063?
The canonical SMILES for CID 58424063 is CN1OC2(CC3(CCCOC3)Oc3ccc(C4CCCCC4)cc32)N=C1N.
What is the InChIKey of CID 58424063?
The InChIKey is ZZOOISIXSTWSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-24-19(22)23-21(27-24)13-20(10-5-11-25-14-20)26-18-9-8-16(12-17(18)21)15-6-3-2-4-7-15/h8-9,12,15H,2-7,10-11,13-14H2,1H3,(H2,22,23).
What are the key properties of CID 58424063?
CID 58424063 has a molecular weight of 371.48 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58424063 is sourced from PubChem (CID 58424063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).