sodium 2-(4-methylquinolin-2-yl)-3-oxoinden-1-olate

C19H12NNaO2 — CID 23678487

IUPACsodium 2-(4-methylquinolin-2-yl)-3-oxoinden-1-olate
SMILESCc1cc(C2=C([O-])c3ccccc3C2=O)nc2ccccc12.[Na+]
InChIInChI=1S/C19H13NO2.Na/c1-11-10-16(20-15-9-5-4-6-12(11)15)17-18(21)13-7-2-3-8-14(13)19(17)22;/h2-10,21H,1H3;/q;+1/p-1
InChIKeyGTPQPDUPQAOFMG-UHFFFAOYSA-M
MW309.30 g/mol
LogP-0.03
Rot. Bonds1

About sodium 2-(4-methylquinolin-2-yl)-3-oxoinden-1-olate

sodium 2-(4-methylquinolin-2-yl)-3-oxoinden-1-olate (PubChem CID 23678487) has the molecular formula C19H12NNaO2 and a molecular weight of 309.30 g/mol. Its IUPAC name is sodium 2-(4-methylquinolin-2-yl)-3-oxoinden-1-olate.

Molecular Properties

Compound Namesodium 2-(4-methylquinolin-2-yl)-3-oxoinden-1-olate
PubChem CID23678487
Molecular FormulaC19H12NNaO2
Molecular Weight309.30 g/mol
Exact Mass309.08
IUPAC Namesodium 2-(4-methylquinolin-2-yl)-3-oxoinden-1-olate
SMILESCc1cc(C2=C([O-])c3ccccc3C2=O)nc2ccccc12.[Na+]
InChIInChI=1S/C19H13NO2.Na/c1-11-10-16(20-15-9-5-4-6-12(11)15)17-18(21)13-7-2-3-8-14(13)19(17)22;/h2-10,21H,1H3;/q;+1/p-1
InChIKeyGTPQPDUPQAOFMG-UHFFFAOYSA-M
XLogP-0.03
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylquinolin-2-yl)benzenethiol
CID 136656831
4-methyl-2-(2,3,4,5-tetramethylphenyl)quinoline
CID 59348556
2-(4-iodophenyl)-4-methylquinoline
CID 8966469
2-(2,5-dimethylthiophen-3-yl)-4-methylquinoline
CID 8966475
2-(2,6-diethylphenyl)-4-methylquinoline
CID 101498276
2,3-dimethylbenzo[g]quinoline-5,10-dione
CID 154523393
2-(3,4-dimethylphenyl)-4-methylquinoline;hydrochloride
CID 47104793
4,4-dimethyl-2-(4-methylquinolin-2-yl)-1H-imidazol-5-one
CID 106953433
4-(4-methylquinolin-2-yl)-6-propan-2-yl-1,3,5-triazin-2-amine
CID 114755549
(1S)-1-[4-methyl-2-(4-methylquinolin-2-yl)pyrimidin-5-yl]ethanamine
CID 103432065
(1R)-1-[4-methyl-2-(4-methylquinolin-2-yl)pyrimidin-5-yl]ethanol
CID 103431263
6-methyl-2-(4-methylquinolin-2-yl)pyrimidine-4-carbaldehyde
CID 114755476

Frequently Asked Questions

What is the IUPAC name of sodium 2-(4-methylquinolin-2-yl)-3-oxoinden-1-olate?
The IUPAC name of sodium 2-(4-methylquinolin-2-yl)-3-oxoinden-1-olate (CID 23678487) is sodium 2-(4-methylquinolin-2-yl)-3-oxoinden-1-olate.
What is the SMILES notation for sodium 2-(4-methylquinolin-2-yl)-3-oxoinden-1-olate?
The canonical SMILES for sodium 2-(4-methylquinolin-2-yl)-3-oxoinden-1-olate is Cc1cc(C2=C([O-])c3ccccc3C2=O)nc2ccccc12.[Na+].
What is the InChIKey of sodium 2-(4-methylquinolin-2-yl)-3-oxoinden-1-olate?
The InChIKey is GTPQPDUPQAOFMG-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H13NO2.Na/c1-11-10-16(20-15-9-5-4-6-12(11)15)17-18(21)13-7-2-3-8-14(13)19(17)22;/h2-10,21H,1H3;/q;+1/p-1.
What are the key properties of sodium 2-(4-methylquinolin-2-yl)-3-oxoinden-1-olate?
sodium 2-(4-methylquinolin-2-yl)-3-oxoinden-1-olate has a molecular weight of 309.30 g/mol, XLogP of -0.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(4-methylquinolin-2-yl)-3-oxoinden-1-olate is sourced from PubChem (CID 23678487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).