4,4,4-trifluoro-3-imidazol-1-yl-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)butanamide

C17H19F3N4O — CID 166250026

IUPAC4,4,4-trifluoro-3-imidazol-1-yl-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)butanamide
SMILESCN1CCC(NC(=O)CC(n2ccnc2)C(F)(F)F)c2ccccc21
InChIInChI=1S/C17H19F3N4O/c1-23-8-6-13(12-4-2-3-5-14(12)23)22-16(25)10-15(17(18,19)20)24-9-7-21-11-24/h2-5,7,9,11,13,15H,6,8,10H2,1H3,(H,22,25)
InChIKeyQDCZXAPPRWEGOV-UHFFFAOYSA-N
MW352.36 g/mol
LogP3.07
Rot. Bonds4

About 4,4,4-trifluoro-3-imidazol-1-yl-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)butanamide

4,4,4-trifluoro-3-imidazol-1-yl-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)butanamide (PubChem CID 166250026) has the molecular formula C17H19F3N4O and a molecular weight of 352.36 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-imidazol-1-yl-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-3-imidazol-1-yl-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)butanamide
PubChem CID166250026
Molecular FormulaC17H19F3N4O
Molecular Weight352.36 g/mol
Exact Mass352.15
IUPAC Name4,4,4-trifluoro-3-imidazol-1-yl-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)butanamide
SMILESCN1CCC(NC(=O)CC(n2ccnc2)C(F)(F)F)c2ccccc21
InChIInChI=1S/C17H19F3N4O/c1-23-8-6-13(12-4-2-3-5-14(12)23)22-16(25)10-15(17(18,19)20)24-9-7-21-11-24/h2-5,7,9,11,13,15H,6,8,10H2,1H3,(H,22,25)
InChIKeyQDCZXAPPRWEGOV-UHFFFAOYSA-N
XLogP3.07
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-imidazol-1-yl-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)butanamide?
The IUPAC name of 4,4,4-trifluoro-3-imidazol-1-yl-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)butanamide (CID 166250026) is 4,4,4-trifluoro-3-imidazol-1-yl-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-3-imidazol-1-yl-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-3-imidazol-1-yl-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)butanamide is CN1CCC(NC(=O)CC(n2ccnc2)C(F)(F)F)c2ccccc21.
What is the InChIKey of 4,4,4-trifluoro-3-imidazol-1-yl-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)butanamide?
The InChIKey is QDCZXAPPRWEGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O/c1-23-8-6-13(12-4-2-3-5-14(12)23)22-16(25)10-15(17(18,19)20)24-9-7-21-11-24/h2-5,7,9,11,13,15H,6,8,10H2,1H3,(H,22,25).
What are the key properties of 4,4,4-trifluoro-3-imidazol-1-yl-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)butanamide?
4,4,4-trifluoro-3-imidazol-1-yl-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)butanamide has a molecular weight of 352.36 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-imidazol-1-yl-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)butanamide is sourced from PubChem (CID 166250026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).