CID 58197719

C25H28ClN3O2 — CID 58197719

IUPAC—
SMILESCCN1C(=O)C2(N=C1N)c1cc(-c3cccc(Cl)c3)ccc1CC21CCC(OC)CC1
InChIInChI=1S/C25H28ClN3O2/c1-3-29-22(30)25(28-23(29)27)21-14-17(16-5-4-6-19(26)13-16)7-8-18(21)15-24(25)11-9-20(31-2)10-12-24/h4-8,13-14,20H,3,9-12,15H2,1-2H3,(H2,27,28)
InChIKeyUUGYFDSQYNYLOD-UHFFFAOYSA-N
MW437.97 g/mol
LogP4.51
Rot. Bonds3

About CID 58197719

CID 58197719 (PubChem CID 58197719) has the molecular formula C25H28ClN3O2 and a molecular weight of 437.97 g/mol.

Molecular Properties

Compound NameCID 58197719
PubChem CID58197719
Molecular FormulaC25H28ClN3O2
Molecular Weight437.97 g/mol
Exact Mass437.19
IUPAC Name—
SMILESCCN1C(=O)C2(N=C1N)c1cc(-c3cccc(Cl)c3)ccc1CC21CCC(OC)CC1
InChIInChI=1S/C25H28ClN3O2/c1-3-29-22(30)25(28-23(29)27)21-14-17(16-5-4-6-19(26)13-16)7-8-18(21)15-24(25)11-9-20(31-2)10-12-24/h4-8,13-14,20H,3,9-12,15H2,1-2H3,(H2,27,28)
InChIKeyUUGYFDSQYNYLOD-UHFFFAOYSA-N
XLogP4.51
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.97
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 58197719?
The IUPAC name of CID 58197719 (CID 58197719) is not available.
What is the SMILES notation for CID 58197719?
The canonical SMILES for CID 58197719 is CCN1C(=O)C2(N=C1N)c1cc(-c3cccc(Cl)c3)ccc1CC21CCC(OC)CC1.
What is the InChIKey of CID 58197719?
The InChIKey is UUGYFDSQYNYLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN3O2/c1-3-29-22(30)25(28-23(29)27)21-14-17(16-5-4-6-19(26)13-16)7-8-18(21)15-24(25)11-9-20(31-2)10-12-24/h4-8,13-14,20H,3,9-12,15H2,1-2H3,(H2,27,28).
What are the key properties of CID 58197719?
CID 58197719 has a molecular weight of 437.97 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58197719 is sourced from PubChem (CID 58197719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).