CID 58197190

C23H25Cl2N3O2 — CID 58197190

IUPAC—
SMILESCOC1CCC2(CC1)Cc1ccc(-c3cc(Cl)cc(Cl)c3)cc1C21N=C(N)N(C)O1
InChIInChI=1S/C23H25Cl2N3O2/c1-28-21(26)27-23(30-28)20-11-14(16-9-17(24)12-18(25)10-16)3-4-15(20)13-22(23)7-5-19(29-2)6-8-22/h3-4,9-12,19H,5-8,13H2,1-2H3,(H2,26,27)
InChIKeyFHPPAGFELZIYMX-UHFFFAOYSA-N
MW446.38 g/mol
LogP5.14
Rot. Bonds2

About CID 58197190

CID 58197190 (PubChem CID 58197190) has the molecular formula C23H25Cl2N3O2 and a molecular weight of 446.38 g/mol.

Molecular Properties

Compound NameCID 58197190
PubChem CID58197190
Molecular FormulaC23H25Cl2N3O2
Molecular Weight446.38 g/mol
Exact Mass445.13
IUPAC Name—
SMILESCOC1CCC2(CC1)Cc1ccc(-c3cc(Cl)cc(Cl)c3)cc1C21N=C(N)N(C)O1
InChIInChI=1S/C23H25Cl2N3O2/c1-28-21(26)27-23(30-28)20-11-14(16-9-17(24)12-18(25)10-16)3-4-15(20)13-22(23)7-5-19(29-2)6-8-22/h3-4,9-12,19H,5-8,13H2,1-2H3,(H2,26,27)
InChIKeyFHPPAGFELZIYMX-UHFFFAOYSA-N
XLogP5.14
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.38
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 58197190?
The IUPAC name of CID 58197190 (CID 58197190) is not available.
What is the SMILES notation for CID 58197190?
The canonical SMILES for CID 58197190 is COC1CCC2(CC1)Cc1ccc(-c3cc(Cl)cc(Cl)c3)cc1C21N=C(N)N(C)O1.
What is the InChIKey of CID 58197190?
The InChIKey is FHPPAGFELZIYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N3O2/c1-28-21(26)27-23(30-28)20-11-14(16-9-17(24)12-18(25)10-16)3-4-15(20)13-22(23)7-5-19(29-2)6-8-22/h3-4,9-12,19H,5-8,13H2,1-2H3,(H2,26,27).
What are the key properties of CID 58197190?
CID 58197190 has a molecular weight of 446.38 g/mol, XLogP of 5.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58197190 is sourced from PubChem (CID 58197190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).