sodium;hydride;2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid

C17H12F3N2NaO2 — CID 173418480

IUPACsodium;hydride;2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid
SMILESO=C(O)c1ccccc1Nc1ccnc2c(C(F)(F)F)cccc12.[H-].[Na+]
InChIInChI=1S/C17H11F3N2O2.Na.H/c18-17(19,20)12-6-3-5-10-14(8-9-21-15(10)12)22-13-7-2-1-4-11(13)16(23)24;;/h1-9H,(H,21,22)(H,23,24);;/q;+1;-1
InChIKeyMRKFGMQRBHPTLK-UHFFFAOYSA-N
MW356.28 g/mol
LogP1.81
Rot. Bonds3

About sodium;hydride;2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid

sodium;hydride;2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid (PubChem CID 173418480) has the molecular formula C17H12F3N2NaO2 and a molecular weight of 356.28 g/mol. Its IUPAC name is sodium;hydride;2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid.

Molecular Properties

Compound Namesodium;hydride;2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid
PubChem CID173418480
Molecular FormulaC17H12F3N2NaO2
Molecular Weight356.28 g/mol
Exact Mass356.07
IUPAC Namesodium;hydride;2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid
SMILESO=C(O)c1ccccc1Nc1ccnc2c(C(F)(F)F)cccc12.[H-].[Na+]
InChIInChI=1S/C17H11F3N2O2.Na.H/c18-17(19,20)12-6-3-5-10-14(8-9-21-15(10)12)22-13-7-2-1-4-11(13)16(23)24;;/h1-9H,(H,21,22)(H,23,24);;/q;+1;-1
InChIKeyMRKFGMQRBHPTLK-UHFFFAOYSA-N
XLogP1.81
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.28
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid;hydrochloride
CID 70546974
2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid;dihydrate;hydrochloride
CID 70546379
1-[2-[[8-(trifluoromethyl)quinolin-4-yl]amino]phenyl]ethanone
CID 43833315
butyl 2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate
CID 11315223
propa-1,2-dienyl 2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate
CID 625476
1-[2-[(8-chloroquinolin-4-yl)amino]phenyl]ethanone
CID 43832784
2-[2-nitro-3-(trifluoromethyl)anilino]benzoic acid
CID 45117712
N-(2,4-dimethylphenyl)-8-(trifluoromethyl)quinolin-4-amine
CID 43833157
2,3-dihydroxypropyl 2-[(7-chloroquinolin-4-yl)amino]benzoate;2,3-dihydroxypropyl 2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate
CID 174805868
4-nitro-2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoyl chloride
CID 20520126
2-(dimethylamino)ethyl 5-fluoro-2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate
CID 23331693
acetic acid;2-[2-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
CID 175172290

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid?
The IUPAC name of sodium;hydride;2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid (CID 173418480) is sodium;hydride;2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid.
What is the SMILES notation for sodium;hydride;2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid?
The canonical SMILES for sodium;hydride;2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid is O=C(O)c1ccccc1Nc1ccnc2c(C(F)(F)F)cccc12.[H-].[Na+].
What is the InChIKey of sodium;hydride;2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid?
The InChIKey is MRKFGMQRBHPTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O2.Na.H/c18-17(19,20)12-6-3-5-10-14(8-9-21-15(10)12)22-13-7-2-1-4-11(13)16(23)24;;/h1-9H,(H,21,22)(H,23,24);;/q;+1;-1.
What are the key properties of sodium;hydride;2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid?
sodium;hydride;2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid has a molecular weight of 356.28 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid is sourced from PubChem (CID 173418480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).