CID 20678145

C20H18GaNO2 — CID 20678145

IUPAC—
SMILESCC(C)(C)c1ccc(C(=O)c2ccc3cccnc3c2O[Ga])cc1
InChIInChI=1S/C20H19NO2.Ga/c1-20(2,3)15-9-6-14(7-10-15)18(22)16-11-8-13-5-4-12-21-17(13)19(16)23;/h4-12,23H,1-3H3;/q;+1/p-1
InChIKeySSQOOCCWSKXGQZ-UHFFFAOYSA-M
MW374.09 g/mol
LogP4.23
Rot. Bonds3

About CID 20678145

CID 20678145 (PubChem CID 20678145) has the molecular formula C20H18GaNO2 and a molecular weight of 374.09 g/mol.

Molecular Properties

Compound NameCID 20678145
PubChem CID20678145
Molecular FormulaC20H18GaNO2
Molecular Weight374.09 g/mol
Exact Mass373.06
IUPAC Name—
SMILESCC(C)(C)c1ccc(C(=O)c2ccc3cccnc3c2O[Ga])cc1
InChIInChI=1S/C20H19NO2.Ga/c1-20(2,3)15-9-6-14(7-10-15)18(22)16-11-8-13-5-4-12-21-17(13)19(16)23;/h4-12,23H,1-3H3;/q;+1/p-1
InChIKeySSQOOCCWSKXGQZ-UHFFFAOYSA-M
XLogP4.23
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.09
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 20678145?
The IUPAC name of CID 20678145 (CID 20678145) is not available.
What is the SMILES notation for CID 20678145?
The canonical SMILES for CID 20678145 is CC(C)(C)c1ccc(C(=O)c2ccc3cccnc3c2O[Ga])cc1.
What is the InChIKey of CID 20678145?
The InChIKey is SSQOOCCWSKXGQZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H19NO2.Ga/c1-20(2,3)15-9-6-14(7-10-15)18(22)16-11-8-13-5-4-12-21-17(13)19(16)23;/h4-12,23H,1-3H3;/q;+1/p-1.
What are the key properties of CID 20678145?
CID 20678145 has a molecular weight of 374.09 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20678145 is sourced from PubChem (CID 20678145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).