(2R)-2-phenyl-N-[6-(trifluoromethyl)quinolin-3-yl]butanediamide

C20H16F3N3O2 — CID 69345872

IUPAC(2R)-2-phenyl-N-[6-(trifluoromethyl)quinolin-3-yl]butanediamide
SMILESNC(=O)C[C@@H](C(=O)Nc1cnc2ccc(C(F)(F)F)cc2c1)c1ccccc1
InChIInChI=1S/C20H16F3N3O2/c21-20(22,23)14-6-7-17-13(8-14)9-15(11-25-17)26-19(28)16(10-18(24)27)12-4-2-1-3-5-12/h1-9,11,16H,10H2,(H2,24,27)(H,26,28)/t16-/m1/s1
InChIKeyNTQYLDYAAPGRMS-MRXNPFEDSA-N
MW387.36 g/mol
LogP3.85
Rot. Bonds5

About (2R)-2-phenyl-N-[6-(trifluoromethyl)quinolin-3-yl]butanediamide

(2R)-2-phenyl-N-[6-(trifluoromethyl)quinolin-3-yl]butanediamide (PubChem CID 69345872) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is (2R)-2-phenyl-N-[6-(trifluoromethyl)quinolin-3-yl]butanediamide.

Molecular Properties

Compound Name(2R)-2-phenyl-N-[6-(trifluoromethyl)quinolin-3-yl]butanediamide
PubChem CID69345872
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC Name(2R)-2-phenyl-N-[6-(trifluoromethyl)quinolin-3-yl]butanediamide
SMILESNC(=O)C[C@@H](C(=O)Nc1cnc2ccc(C(F)(F)F)cc2c1)c1ccccc1
InChIInChI=1S/C20H16F3N3O2/c21-20(22,23)14-6-7-17-13(8-14)9-15(11-25-17)26-19(28)16(10-18(24)27)12-4-2-1-3-5-12/h1-9,11,16H,10H2,(H2,24,27)(H,26,28)/t16-/m1/s1
InChIKeyNTQYLDYAAPGRMS-MRXNPFEDSA-N
XLogP3.85
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-phenyl-N-quinolin-3-ylacetamide
CID 43704715
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CID 59868559
2-[3-oxo-3-(quinolin-3-ylamino)propyl]-5-(trifluoromethyl)benzamide
CID 173151982
2-[4-oxo-4-(quinolin-3-ylamino)butyl]-5-(trifluoromethyl)benzamide
CID 173151952
(2S)-2-amino-N'-(1,3-diaminopropan-2-yl)-N-[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]butanediamide
CID 59366902
(2S)-2,4,6-triamino-4-(2-aminoethyl)-N-[(2R)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]hexanamide
CID 46223454
2,5-diamino-4-(aminomethyl)-N-[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]pentanamide
CID 46221891
3-amino-N-(6-fluoro-3-pyridinyl)-2-phenylpropanamide
CID 103808686
4-amino-N-cinnolin-6-yl-2-phenylbutanamide
CID 67950451
1-amino-N-[4-oxo-3-phenyl-4-(quinolin-3-ylamino)butyl]pyrrolidine-2-carboxamide
CID 175769376
2-amino-4-(aminomethyl)-4-methyl-N-[1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]hexanamide
CID 91017667
bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2R)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]pentyl]-(carboxymethyl)azanium
CID 88564738

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-N-[6-(trifluoromethyl)quinolin-3-yl]butanediamide?
The IUPAC name of (2R)-2-phenyl-N-[6-(trifluoromethyl)quinolin-3-yl]butanediamide (CID 69345872) is (2R)-2-phenyl-N-[6-(trifluoromethyl)quinolin-3-yl]butanediamide.
What is the SMILES notation for (2R)-2-phenyl-N-[6-(trifluoromethyl)quinolin-3-yl]butanediamide?
The canonical SMILES for (2R)-2-phenyl-N-[6-(trifluoromethyl)quinolin-3-yl]butanediamide is NC(=O)C[C@@H](C(=O)Nc1cnc2ccc(C(F)(F)F)cc2c1)c1ccccc1.
What is the InChIKey of (2R)-2-phenyl-N-[6-(trifluoromethyl)quinolin-3-yl]butanediamide?
The InChIKey is NTQYLDYAAPGRMS-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c21-20(22,23)14-6-7-17-13(8-14)9-15(11-25-17)26-19(28)16(10-18(24)27)12-4-2-1-3-5-12/h1-9,11,16H,10H2,(H2,24,27)(H,26,28)/t16-/m1/s1.
What are the key properties of (2R)-2-phenyl-N-[6-(trifluoromethyl)quinolin-3-yl]butanediamide?
(2R)-2-phenyl-N-[6-(trifluoromethyl)quinolin-3-yl]butanediamide has a molecular weight of 387.36 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-N-[6-(trifluoromethyl)quinolin-3-yl]butanediamide is sourced from PubChem (CID 69345872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).