CID 90056346

C20H23N5O4 — CID 90056346

IUPAC—
SMILESCn1cc(C(=O)Nc2ccc3c(c2)C2(COC(N)=N2)C2(COC2)C(C)(C)O3)cn1
InChIInChI=1S/C20H23N5O4/c1-18(2)19(9-27-10-19)20(11-28-17(21)24-20)14-6-13(4-5-15(14)29-18)23-16(26)12-7-22-25(3)8-12/h4-8H,9-11H2,1-3H3,(H2,21,24)(H,23,26)
InChIKeyYPMLZFITKWARQD-UHFFFAOYSA-N
MW397.44 g/mol
LogP1.40
Rot. Bonds2

About CID 90056346

CID 90056346 (PubChem CID 90056346) has the molecular formula C20H23N5O4 and a molecular weight of 397.44 g/mol.

Molecular Properties

Compound NameCID 90056346
PubChem CID90056346
Molecular FormulaC20H23N5O4
Molecular Weight397.44 g/mol
Exact Mass397.18
IUPAC Name—
SMILESCn1cc(C(=O)Nc2ccc3c(c2)C2(COC(N)=N2)C2(COC2)C(C)(C)O3)cn1
InChIInChI=1S/C20H23N5O4/c1-18(2)19(9-27-10-19)20(11-28-17(21)24-20)14-6-13(4-5-15(14)29-18)23-16(26)12-7-22-25(3)8-12/h4-8H,9-11H2,1-3H3,(H2,21,24)(H,23,26)
InChIKeyYPMLZFITKWARQD-UHFFFAOYSA-N
XLogP1.40
TPSA112.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of CID 90056346?
The IUPAC name of CID 90056346 (CID 90056346) is not available.
What is the SMILES notation for CID 90056346?
The canonical SMILES for CID 90056346 is Cn1cc(C(=O)Nc2ccc3c(c2)C2(COC(N)=N2)C2(COC2)C(C)(C)O3)cn1.
What is the InChIKey of CID 90056346?
The InChIKey is YPMLZFITKWARQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4/c1-18(2)19(9-27-10-19)20(11-28-17(21)24-20)14-6-13(4-5-15(14)29-18)23-16(26)12-7-22-25(3)8-12/h4-8H,9-11H2,1-3H3,(H2,21,24)(H,23,26).
What are the key properties of CID 90056346?
CID 90056346 has a molecular weight of 397.44 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90056346 is sourced from PubChem (CID 90056346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).