4-[2-[3-(trifluoromethyl)phenyl]quinoline-6-carbonyl]morpholine-2-carboxylic acid

C22H17F3N2O4 — CID 58874876

IUPAC4-[2-[3-(trifluoromethyl)phenyl]quinoline-6-carbonyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2ccc3nc(-c4cccc(C(F)(F)F)c4)ccc3c2)CCO1
InChIInChI=1S/C22H17F3N2O4/c23-22(24,25)16-3-1-2-13(11-16)17-6-4-14-10-15(5-7-18(14)26-17)20(28)27-8-9-31-19(12-27)21(29)30/h1-7,10-11,19H,8-9,12H2,(H,29,30)
InChIKeyFNCXMFASYHAPKX-UHFFFAOYSA-N
MW430.38 g/mol
LogP3.85
Rot. Bonds3

About 4-[2-[3-(trifluoromethyl)phenyl]quinoline-6-carbonyl]morpholine-2-carboxylic acid

4-[2-[3-(trifluoromethyl)phenyl]quinoline-6-carbonyl]morpholine-2-carboxylic acid (PubChem CID 58874876) has the molecular formula C22H17F3N2O4 and a molecular weight of 430.38 g/mol. Its IUPAC name is 4-[2-[3-(trifluoromethyl)phenyl]quinoline-6-carbonyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-[3-(trifluoromethyl)phenyl]quinoline-6-carbonyl]morpholine-2-carboxylic acid
PubChem CID58874876
Molecular FormulaC22H17F3N2O4
Molecular Weight430.38 g/mol
Exact Mass430.11
IUPAC Name4-[2-[3-(trifluoromethyl)phenyl]quinoline-6-carbonyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2ccc3nc(-c4cccc(C(F)(F)F)c4)ccc3c2)CCO1
InChIInChI=1S/C22H17F3N2O4/c23-22(24,25)16-3-1-2-13(11-16)17-6-4-14-10-15(5-7-18(14)26-17)20(28)27-8-9-31-19(12-27)21(29)30/h1-7,10-11,19H,8-9,12H2,(H,29,30)
InChIKeyFNCXMFASYHAPKX-UHFFFAOYSA-N
XLogP3.85
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[3-(trifluoromethyl)phenoxy]benzoyl]morpholine-2-carboxylic acid
CID 119239464
ethyl 1-[2-[3-(trifluoromethyl)phenyl]quinoline-6-carbonyl]piperidine-3-carboxylate
CID 58874811
quinolin-6-yl-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 129453468
[2-[3,5-bis(trifluoromethyl)phenyl]quinolin-6-yl]-piperazin-1-ylmethanone
CID 58874526
(3-morpholin-4-ylphenyl)-[3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 132773829
4-(2-phenylquinoline-4-carbonyl)morpholine-2-carboxylic acid
CID 119358047
[2-(aminomethyl)morpholin-4-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 61338561
(2R)-4-[1-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]morpholine-2-carboxylic acid
CID 124703954
4-[3-[3-(trifluoromethyl)phenyl]butanoyl]morpholine-2-carboxylic acid
CID 119239777
[3-(dimethylamino)phenyl]-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 124966949
4-[3-(2-methylpropoxy)benzoyl]morpholine-2-carboxylic acid
CID 119238893
6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridine-4-carboxylic acid
CID 58484116

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(trifluoromethyl)phenyl]quinoline-6-carbonyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[2-[3-(trifluoromethyl)phenyl]quinoline-6-carbonyl]morpholine-2-carboxylic acid (CID 58874876) is 4-[2-[3-(trifluoromethyl)phenyl]quinoline-6-carbonyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[2-[3-(trifluoromethyl)phenyl]quinoline-6-carbonyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[2-[3-(trifluoromethyl)phenyl]quinoline-6-carbonyl]morpholine-2-carboxylic acid is O=C(O)C1CN(C(=O)c2ccc3nc(-c4cccc(C(F)(F)F)c4)ccc3c2)CCO1.
What is the InChIKey of 4-[2-[3-(trifluoromethyl)phenyl]quinoline-6-carbonyl]morpholine-2-carboxylic acid?
The InChIKey is FNCXMFASYHAPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O4/c23-22(24,25)16-3-1-2-13(11-16)17-6-4-14-10-15(5-7-18(14)26-17)20(28)27-8-9-31-19(12-27)21(29)30/h1-7,10-11,19H,8-9,12H2,(H,29,30).
What are the key properties of 4-[2-[3-(trifluoromethyl)phenyl]quinoline-6-carbonyl]morpholine-2-carboxylic acid?
4-[2-[3-(trifluoromethyl)phenyl]quinoline-6-carbonyl]morpholine-2-carboxylic acid has a molecular weight of 430.38 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(trifluoromethyl)phenyl]quinoline-6-carbonyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 58874876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).