CID 90246712

C20H21N3O2 — CID 90246712

IUPAC—
SMILESCCc1cncc(-c2ccc3c(c2)C2(COC(N)=N2)C2(CC2)CO3)c1
InChIInChI=1S/C20H21N3O2/c1-2-13-7-15(10-22-9-13)14-3-4-17-16(8-14)20(12-25-18(21)23-20)19(5-6-19)11-24-17/h3-4,7-10H,2,5-6,11-12H2,1H3,(H2,21,23)
InChIKeyACFKJXYIJBZGDF-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.02
Rot. Bonds2

About CID 90246712

CID 90246712 (PubChem CID 90246712) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol.

Molecular Properties

Compound NameCID 90246712
PubChem CID90246712
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name—
SMILESCCc1cncc(-c2ccc3c(c2)C2(COC(N)=N2)C2(CC2)CO3)c1
InChIInChI=1S/C20H21N3O2/c1-2-13-7-15(10-22-9-13)14-3-4-17-16(8-14)20(12-25-18(21)23-20)19(5-6-19)11-24-17/h3-4,7-10H,2,5-6,11-12H2,1H3,(H2,21,23)
InChIKeyACFKJXYIJBZGDF-UHFFFAOYSA-N
XLogP3.02
TPSA69.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 90246712?
The IUPAC name of CID 90246712 (CID 90246712) is not available.
What is the SMILES notation for CID 90246712?
The canonical SMILES for CID 90246712 is CCc1cncc(-c2ccc3c(c2)C2(COC(N)=N2)C2(CC2)CO3)c1.
What is the InChIKey of CID 90246712?
The InChIKey is ACFKJXYIJBZGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-2-13-7-15(10-22-9-13)14-3-4-17-16(8-14)20(12-25-18(21)23-20)19(5-6-19)11-24-17/h3-4,7-10H,2,5-6,11-12H2,1H3,(H2,21,23).
What are the key properties of CID 90246712?
CID 90246712 has a molecular weight of 335.41 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90246712 is sourced from PubChem (CID 90246712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).