CID 67646015

C13H11LiNO5 — CID 67646015

IUPAC—
SMILESO=C(O)C(O)(Cc1ccc2ccccc2n1)C(=O)O.[Li]
InChIInChI=1S/C13H11NO5.Li/c15-11(16)13(19,12(17)18)7-9-6-5-8-3-1-2-4-10(8)14-9;/h1-6,19H,7H2,(H,15,16)(H,17,18);
InChIKeyMMSRPPMUKCUHFK-UHFFFAOYSA-N
MW268.17 g/mol
LogP0.30
Rot. Bonds4

About CID 67646015

CID 67646015 (PubChem CID 67646015) has the molecular formula C13H11LiNO5 and a molecular weight of 268.17 g/mol.

Molecular Properties

Compound NameCID 67646015
PubChem CID67646015
Molecular FormulaC13H11LiNO5
Molecular Weight268.17 g/mol
Exact Mass268.08
IUPAC Name—
SMILESO=C(O)C(O)(Cc1ccc2ccccc2n1)C(=O)O.[Li]
InChIInChI=1S/C13H11NO5.Li/c15-11(16)13(19,12(17)18)7-9-6-5-8-3-1-2-4-10(8)14-9;/h1-6,19H,7H2,(H,15,16)(H,17,18);
InChIKeyMMSRPPMUKCUHFK-UHFFFAOYSA-N
XLogP0.30
TPSA107.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.17
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-quinolin-2-ylacetic acid;hydrate
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3-ethoxy-2-methyl-3-oxo-2-(quinolin-2-ylmethyl)propanoic acid
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1-quinolin-2-ylbut-3-en-2-one
CID 103453640
quinolin-2-ylmethylcarbamothioic S-acid
CID 135200378
2-methyl-1-(2-methylpropylamino)-3-quinolin-2-ylpropan-2-ol
CID 66037759
3,3-dimethyl-N-(quinolin-2-ylmethyl)butanamide
CID 110734097
1,2-di(quinolin-2-yl)ethanone
CID 24973307
2-(quinolin-2-ylmethylsulfinyl)acetic acid
CID 60983732
1-chloro-1,1-difluoro-3-quinolin-2-ylpropan-2-one
CID 112574928
CID 89210421
CID 89210421
2-oxo-1-(quinolin-2-ylmethyl)pyridine-4-carboxylic acid
CID 82898259
N-(2-aminoethyl)-2-quinolin-2-ylacetamide
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Frequently Asked Questions

What is the IUPAC name of CID 67646015?
The IUPAC name of CID 67646015 (CID 67646015) is not available.
What is the SMILES notation for CID 67646015?
The canonical SMILES for CID 67646015 is O=C(O)C(O)(Cc1ccc2ccccc2n1)C(=O)O.[Li].
What is the InChIKey of CID 67646015?
The InChIKey is MMSRPPMUKCUHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO5.Li/c15-11(16)13(19,12(17)18)7-9-6-5-8-3-1-2-4-10(8)14-9;/h1-6,19H,7H2,(H,15,16)(H,17,18);.
What are the key properties of CID 67646015?
CID 67646015 has a molecular weight of 268.17 g/mol, XLogP of 0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67646015 is sourced from PubChem (CID 67646015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).