sodium 6-fluoro-3-methyl-2-(5-phenylnaphthalen-1-yl)quinoline-4-carboxylate

C27H17FNNaO2 — CID 23699181

IUPACsodium 6-fluoro-3-methyl-2-(5-phenylnaphthalen-1-yl)quinoline-4-carboxylate
SMILESCc1c(-c2cccc3c(-c4ccccc4)cccc23)nc2ccc(F)cc2c1C(=O)[O-].[Na+]
InChIInChI=1S/C27H18FNO2.Na/c1-16-25(27(30)31)23-15-18(28)13-14-24(23)29-26(16)22-12-6-10-20-19(9-5-11-21(20)22)17-7-3-2-4-8-17;/h2-15H,1H3,(H,30,31);/q;+1/p-1
InChIKeyWULXSKRCJMWYAD-UHFFFAOYSA-M
MW429.43 g/mol
LogP2.54
Rot. Bonds3

About sodium 6-fluoro-3-methyl-2-(5-phenylnaphthalen-1-yl)quinoline-4-carboxylate

sodium 6-fluoro-3-methyl-2-(5-phenylnaphthalen-1-yl)quinoline-4-carboxylate (PubChem CID 23699181) has the molecular formula C27H17FNNaO2 and a molecular weight of 429.43 g/mol. Its IUPAC name is sodium 6-fluoro-3-methyl-2-(5-phenylnaphthalen-1-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Namesodium 6-fluoro-3-methyl-2-(5-phenylnaphthalen-1-yl)quinoline-4-carboxylate
PubChem CID23699181
Molecular FormulaC27H17FNNaO2
Molecular Weight429.43 g/mol
Exact Mass429.11
IUPAC Namesodium 6-fluoro-3-methyl-2-(5-phenylnaphthalen-1-yl)quinoline-4-carboxylate
SMILESCc1c(-c2cccc3c(-c4ccccc4)cccc23)nc2ccc(F)cc2c1C(=O)[O-].[Na+]
InChIInChI=1S/C27H18FNO2.Na/c1-16-25(27(30)31)23-15-18(28)13-14-24(23)29-26(16)22-12-6-10-20-19(9-5-11-21(20)22)17-7-3-2-4-8-17;/h2-15H,1H3,(H,30,31);/q;+1/p-1
InChIKeyWULXSKRCJMWYAD-UHFFFAOYSA-M
XLogP2.54
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.43
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Cinchophen
CID 8593
Brequinar
CID 57030
Neocinchophen
CID 68089
Tetrophan
CID 120171
Mefloquine carboxylic acid
CID 169721
Brequinar Analog
CID 1543
3-Methyl-2-phenylquinoline-4-carboxylic acid
CID 673710
6-Methyl-2-phenylquinoline-4-carboxylic acid
CID 698707
2-([1,1'-Biphenyl]-4-yl)quinoline-4-carboxylic Acid
CID 2063288
Acridine-9-carboxylic acid
CID 94721
Brequinar Sodium
CID 23663964
2-(Naphthalen-1-yl)quinoline-4-carboxylic acid
CID 230606

Frequently Asked Questions

What is the IUPAC name of sodium 6-fluoro-3-methyl-2-(5-phenylnaphthalen-1-yl)quinoline-4-carboxylate?
The IUPAC name of sodium 6-fluoro-3-methyl-2-(5-phenylnaphthalen-1-yl)quinoline-4-carboxylate (CID 23699181) is sodium 6-fluoro-3-methyl-2-(5-phenylnaphthalen-1-yl)quinoline-4-carboxylate.
What is the SMILES notation for sodium 6-fluoro-3-methyl-2-(5-phenylnaphthalen-1-yl)quinoline-4-carboxylate?
The canonical SMILES for sodium 6-fluoro-3-methyl-2-(5-phenylnaphthalen-1-yl)quinoline-4-carboxylate is Cc1c(-c2cccc3c(-c4ccccc4)cccc23)nc2ccc(F)cc2c1C(=O)[O-].[Na+].
What is the InChIKey of sodium 6-fluoro-3-methyl-2-(5-phenylnaphthalen-1-yl)quinoline-4-carboxylate?
The InChIKey is WULXSKRCJMWYAD-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H18FNO2.Na/c1-16-25(27(30)31)23-15-18(28)13-14-24(23)29-26(16)22-12-6-10-20-19(9-5-11-21(20)22)17-7-3-2-4-8-17;/h2-15H,1H3,(H,30,31);/q;+1/p-1.
What are the key properties of sodium 6-fluoro-3-methyl-2-(5-phenylnaphthalen-1-yl)quinoline-4-carboxylate?
sodium 6-fluoro-3-methyl-2-(5-phenylnaphthalen-1-yl)quinoline-4-carboxylate has a molecular weight of 429.43 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 6-fluoro-3-methyl-2-(5-phenylnaphthalen-1-yl)quinoline-4-carboxylate is sourced from PubChem (CID 23699181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).