CID 58197242

C23H25ClN4O2 — CID 58197242

IUPAC—
SMILESCOC1CCC2(CC1)Cc1ccc(-c3cncc(Cl)c3)cc1C21N=C(N)N(C)C1=O
InChIInChI=1S/C23H25ClN4O2/c1-28-20(29)23(27-21(28)25)19-10-14(16-9-17(24)13-26-12-16)3-4-15(19)11-22(23)7-5-18(30-2)6-8-22/h3-4,9-10,12-13,18H,5-8,11H2,1-2H3,(H2,25,27)
InChIKeyOBMDTPCNLIHYNL-UHFFFAOYSA-N
MW424.93 g/mol
LogP3.52
Rot. Bonds2

About CID 58197242

CID 58197242 (PubChem CID 58197242) has the molecular formula C23H25ClN4O2 and a molecular weight of 424.93 g/mol.

Molecular Properties

Compound NameCID 58197242
PubChem CID58197242
Molecular FormulaC23H25ClN4O2
Molecular Weight424.93 g/mol
Exact Mass424.17
IUPAC Name—
SMILESCOC1CCC2(CC1)Cc1ccc(-c3cncc(Cl)c3)cc1C21N=C(N)N(C)C1=O
InChIInChI=1S/C23H25ClN4O2/c1-28-20(29)23(27-21(28)25)19-10-14(16-9-17(24)13-26-12-16)3-4-15(19)11-22(23)7-5-18(30-2)6-8-22/h3-4,9-10,12-13,18H,5-8,11H2,1-2H3,(H2,25,27)
InChIKeyOBMDTPCNLIHYNL-UHFFFAOYSA-N
XLogP3.52
TPSA80.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 58197242?
The IUPAC name of CID 58197242 (CID 58197242) is not available.
What is the SMILES notation for CID 58197242?
The canonical SMILES for CID 58197242 is COC1CCC2(CC1)Cc1ccc(-c3cncc(Cl)c3)cc1C21N=C(N)N(C)C1=O.
What is the InChIKey of CID 58197242?
The InChIKey is OBMDTPCNLIHYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O2/c1-28-20(29)23(27-21(28)25)19-10-14(16-9-17(24)13-26-12-16)3-4-15(19)11-22(23)7-5-18(30-2)6-8-22/h3-4,9-10,12-13,18H,5-8,11H2,1-2H3,(H2,25,27).
What are the key properties of CID 58197242?
CID 58197242 has a molecular weight of 424.93 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58197242 is sourced from PubChem (CID 58197242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).