CID 58198178

C26H32N4O2 — CID 58198178

IUPAC—
SMILESCOC1CCC2(CC1)Cc1ccc(-c3cncc(C)c3)cc1C21N=C(N)N(C(C)C)C1=O
InChIInChI=1S/C26H32N4O2/c1-16(2)30-23(31)26(29-24(30)27)22-12-18(20-11-17(3)14-28-15-20)5-6-19(22)13-25(26)9-7-21(32-4)8-10-25/h5-6,11-12,14-16,21H,7-10,13H2,1-4H3,(H2,27,29)
InChIKeyPLQOTDTYVISMOU-UHFFFAOYSA-N
MW432.57 g/mol
LogP3.95
Rot. Bonds3

About CID 58198178

CID 58198178 (PubChem CID 58198178) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol.

Molecular Properties

Compound NameCID 58198178
PubChem CID58198178
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name—
SMILESCOC1CCC2(CC1)Cc1ccc(-c3cncc(C)c3)cc1C21N=C(N)N(C(C)C)C1=O
InChIInChI=1S/C26H32N4O2/c1-16(2)30-23(31)26(29-24(30)27)22-12-18(20-11-17(3)14-28-15-20)5-6-19(22)13-25(26)9-7-21(32-4)8-10-25/h5-6,11-12,14-16,21H,7-10,13H2,1-4H3,(H2,27,29)
InChIKeyPLQOTDTYVISMOU-UHFFFAOYSA-N
XLogP3.95
TPSA80.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 58198178?
The IUPAC name of CID 58198178 (CID 58198178) is not available.
What is the SMILES notation for CID 58198178?
The canonical SMILES for CID 58198178 is COC1CCC2(CC1)Cc1ccc(-c3cncc(C)c3)cc1C21N=C(N)N(C(C)C)C1=O.
What is the InChIKey of CID 58198178?
The InChIKey is PLQOTDTYVISMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-16(2)30-23(31)26(29-24(30)27)22-12-18(20-11-17(3)14-28-15-20)5-6-19(22)13-25(26)9-7-21(32-4)8-10-25/h5-6,11-12,14-16,21H,7-10,13H2,1-4H3,(H2,27,29).
What are the key properties of CID 58198178?
CID 58198178 has a molecular weight of 432.57 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58198178 is sourced from PubChem (CID 58198178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).