CID 20678160

C15H16GaNO2 — CID 20678160

IUPAC—
SMILESCCCCCC(=O)c1ccc(O[Ga])c2ncccc12
InChIInChI=1S/C15H17NO2.Ga/c1-2-3-4-7-13(17)11-8-9-14(18)15-12(11)6-5-10-16-15;/h5-6,8-10,18H,2-4,7H2,1H3;/q;+1/p-1
InChIKeyIPRWMOZNHQBAOT-UHFFFAOYSA-M
MW312.02 g/mol
LogP3.46
Rot. Bonds6

About CID 20678160

CID 20678160 (PubChem CID 20678160) has the molecular formula C15H16GaNO2 and a molecular weight of 312.02 g/mol.

Molecular Properties

Compound NameCID 20678160
PubChem CID20678160
Molecular FormulaC15H16GaNO2
Molecular Weight312.02 g/mol
Exact Mass311.04
IUPAC Name—
SMILESCCCCCC(=O)c1ccc(O[Ga])c2ncccc12
InChIInChI=1S/C15H17NO2.Ga/c1-2-3-4-7-13(17)11-8-9-14(18)15-12(11)6-5-10-16-15;/h5-6,8-10,18H,2-4,7H2,1H3;/q;+1/p-1
InChIKeyIPRWMOZNHQBAOT-UHFFFAOYSA-M
XLogP3.46
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.02
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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ethyl 8-butoxyquinoline-5-carboxylate
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1-[8-[(5-piperidin-1-ylsulfonylquinolin-8-yl)oxy-quinolin-8-yloxyalumanyl]oxyquinolin-5-yl]hexan-1-one
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1-quinolin-4-yldecan-1-one
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CID 93193167
8-ethoxyquinoline-5-carbohydrazide
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Frequently Asked Questions

What is the IUPAC name of CID 20678160?
The IUPAC name of CID 20678160 (CID 20678160) is not available.
What is the SMILES notation for CID 20678160?
The canonical SMILES for CID 20678160 is CCCCCC(=O)c1ccc(O[Ga])c2ncccc12.
What is the InChIKey of CID 20678160?
The InChIKey is IPRWMOZNHQBAOT-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H17NO2.Ga/c1-2-3-4-7-13(17)11-8-9-14(18)15-12(11)6-5-10-16-15;/h5-6,8-10,18H,2-4,7H2,1H3;/q;+1/p-1.
What are the key properties of CID 20678160?
CID 20678160 has a molecular weight of 312.02 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20678160 is sourced from PubChem (CID 20678160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).