(2S)-2-(4-fluorophenyl)-2-hydroxy-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide

C26H23F4N3O3 — CID 66637331

IUPAC(2S)-2-(4-fluorophenyl)-2-hydroxy-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide
SMILESCN1C(=O)CCc2cc(N(CCc3ccc(C(F)(F)F)cn3)C(=O)[C@@H](O)c3ccc(F)cc3)ccc21
InChIInChI=1S/C26H23F4N3O3/c1-32-22-10-9-21(14-17(22)4-11-23(32)34)33(25(36)24(35)16-2-6-19(27)7-3-16)13-12-20-8-5-18(15-31-20)26(28,29)30/h2-3,5-10,14-15,24,35H,4,11-13H2,1H3/t24-/m0/s1
InChIKeyCXMQDRCKVOYUAN-DEOSSOPVSA-N
MW501.48 g/mol
LogP4.46
Rot. Bonds6

About (2S)-2-(4-fluorophenyl)-2-hydroxy-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide

(2S)-2-(4-fluorophenyl)-2-hydroxy-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide (PubChem CID 66637331) has the molecular formula C26H23F4N3O3 and a molecular weight of 501.48 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenyl)-2-hydroxy-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)-2-hydroxy-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide
PubChem CID66637331
Molecular FormulaC26H23F4N3O3
Molecular Weight501.48 g/mol
Exact Mass501.17
IUPAC Name(2S)-2-(4-fluorophenyl)-2-hydroxy-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide
SMILESCN1C(=O)CCc2cc(N(CCc3ccc(C(F)(F)F)cn3)C(=O)[C@@H](O)c3ccc(F)cc3)ccc21
InChIInChI=1S/C26H23F4N3O3/c1-32-22-10-9-21(14-17(22)4-11-23(32)34)33(25(36)24(35)16-2-6-19(27)7-3-16)13-12-20-8-5-18(15-31-20)26(28,29)30/h2-3,5-10,14-15,24,35H,4,11-13H2,1H3/t24-/m0/s1
InChIKeyCXMQDRCKVOYUAN-DEOSSOPVSA-N
XLogP4.46
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.48
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenyl)-2-hydroxy-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide?
The IUPAC name of (2S)-2-(4-fluorophenyl)-2-hydroxy-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide (CID 66637331) is (2S)-2-(4-fluorophenyl)-2-hydroxy-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)-2-hydroxy-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide?
The canonical SMILES for (2S)-2-(4-fluorophenyl)-2-hydroxy-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide is CN1C(=O)CCc2cc(N(CCc3ccc(C(F)(F)F)cn3)C(=O)[C@@H](O)c3ccc(F)cc3)ccc21.
What is the InChIKey of (2S)-2-(4-fluorophenyl)-2-hydroxy-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide?
The InChIKey is CXMQDRCKVOYUAN-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H23F4N3O3/c1-32-22-10-9-21(14-17(22)4-11-23(32)34)33(25(36)24(35)16-2-6-19(27)7-3-16)13-12-20-8-5-18(15-31-20)26(28,29)30/h2-3,5-10,14-15,24,35H,4,11-13H2,1H3/t24-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)-2-hydroxy-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide?
(2S)-2-(4-fluorophenyl)-2-hydroxy-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide has a molecular weight of 501.48 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenyl)-2-hydroxy-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide is sourced from PubChem (CID 66637331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).