CID 161008430

C20H21N3O5 — CID 161008430

IUPAC—
SMILESCC1(C)Oc2ccc(CC(=O)c3ccon3)cc2C2(COC(N)=N2)C12COC2
InChIInChI=1S/C20H21N3O5/c1-18(2)19(9-25-10-19)20(11-26-17(21)22-20)13-7-12(3-4-16(13)28-18)8-15(24)14-5-6-27-23-14/h3-7H,8-11H2,1-2H3,(H2,21,22)
InChIKeyTWUUBYPJCFOMFQ-UHFFFAOYSA-N
MW383.40 g/mol
LogP1.83
Rot. Bonds3

About CID 161008430

CID 161008430 (PubChem CID 161008430) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol.

Molecular Properties

Compound NameCID 161008430
PubChem CID161008430
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC Name—
SMILESCC1(C)Oc2ccc(CC(=O)c3ccon3)cc2C2(COC(N)=N2)C12COC2
InChIInChI=1S/C20H21N3O5/c1-18(2)19(9-25-10-19)20(11-26-17(21)22-20)13-7-12(3-4-16(13)28-18)8-15(24)14-5-6-27-23-14/h3-7H,8-11H2,1-2H3,(H2,21,22)
InChIKeyTWUUBYPJCFOMFQ-UHFFFAOYSA-N
XLogP1.83
TPSA109.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of CID 161008430?
The IUPAC name of CID 161008430 (CID 161008430) is not available.
What is the SMILES notation for CID 161008430?
The canonical SMILES for CID 161008430 is CC1(C)Oc2ccc(CC(=O)c3ccon3)cc2C2(COC(N)=N2)C12COC2.
What is the InChIKey of CID 161008430?
The InChIKey is TWUUBYPJCFOMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-18(2)19(9-25-10-19)20(11-26-17(21)22-20)13-7-12(3-4-16(13)28-18)8-15(24)14-5-6-27-23-14/h3-7H,8-11H2,1-2H3,(H2,21,22).
What are the key properties of CID 161008430?
CID 161008430 has a molecular weight of 383.40 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161008430 is sourced from PubChem (CID 161008430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).