N-[3-(2,3-dihydro-1H-1,2,4-triazol-5-yl)propyl]-4-ethoxy-2-[3-(trifluoromethyl)phenyl]quinoline-7-carboxamide

C24H24F3N5O2 — CID 122431453

IUPACN-[3-(2,3-dihydro-1H-1,2,4-triazol-5-yl)propyl]-4-ethoxy-2-[3-(trifluoromethyl)phenyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2cccc(C(F)(F)F)c2)nc2cc(C(=O)NCCCC3=NCNN3)ccc12
InChIInChI=1S/C24H24F3N5O2/c1-2-34-21-13-19(15-5-3-6-17(11-15)24(25,26)27)31-20-12-16(8-9-18(20)21)23(33)28-10-4-7-22-29-14-30-32-22/h3,5-6,8-9,11-13,30H,2,4,7,10,14H2,1H3,(H,28,33)(H,29,32)
InChIKeyUPYFQWULKODZAY-UHFFFAOYSA-N
MW471.48 g/mol
LogP4.29
Rot. Bonds8

About N-[3-(2,3-dihydro-1H-1,2,4-triazol-5-yl)propyl]-4-ethoxy-2-[3-(trifluoromethyl)phenyl]quinoline-7-carboxamide

N-[3-(2,3-dihydro-1H-1,2,4-triazol-5-yl)propyl]-4-ethoxy-2-[3-(trifluoromethyl)phenyl]quinoline-7-carboxamide (PubChem CID 122431453) has the molecular formula C24H24F3N5O2 and a molecular weight of 471.48 g/mol. Its IUPAC name is N-[3-(2,3-dihydro-1H-1,2,4-triazol-5-yl)propyl]-4-ethoxy-2-[3-(trifluoromethyl)phenyl]quinoline-7-carboxamide.

Molecular Properties

Compound NameN-[3-(2,3-dihydro-1H-1,2,4-triazol-5-yl)propyl]-4-ethoxy-2-[3-(trifluoromethyl)phenyl]quinoline-7-carboxamide
PubChem CID122431453
Molecular FormulaC24H24F3N5O2
Molecular Weight471.48 g/mol
Exact Mass471.19
IUPAC NameN-[3-(2,3-dihydro-1H-1,2,4-triazol-5-yl)propyl]-4-ethoxy-2-[3-(trifluoromethyl)phenyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2cccc(C(F)(F)F)c2)nc2cc(C(=O)NCCCC3=NCNN3)ccc12
InChIInChI=1S/C24H24F3N5O2/c1-2-34-21-13-19(15-5-3-6-17(11-15)24(25,26)27)31-20-12-16(8-9-18(20)21)23(33)28-10-4-7-22-29-14-30-32-22/h3,5-6,8-9,11-13,30H,2,4,7,10,14H2,1H3,(H,28,33)(H,29,32)
InChIKeyUPYFQWULKODZAY-UHFFFAOYSA-N
XLogP4.29
TPSA87.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.48
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-2-(3-methylphenyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide
CID 134164669
4-ethoxy-2-(6-methoxy-3-pyridinyl)-N-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide
CID 122431858
4-ethoxy-2-(4-methylphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide
CID 134164673
4-ethoxy-2-(1-methyl-2-oxo-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide
CID 134164639
2-cyclopropyl-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide
CID 122423973
4-ethoxy-2-(4-fluoro-2-methoxyphenyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide
CID 122431466
2-(3-chlorophenyl)-4-ethoxy-N-(3-morpholin-4-ylpropyl)quinoline-6-carboxamide
CID 46318912
N-[2,2-difluoro-3-(1H-1,2,4-triazol-5-yl)propyl]-4-ethoxy-2-(4-fluorophenyl)quinoline-7-carboxamide
CID 122431668
4-ethoxy-2-(6-methyl-2-oxo-1H-pyridin-3-yl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide
CID 146259096
4-ethoxy-2-(4-fluorophenyl)-N-[(3Z)-3-hydrazinylidene-4-iminopentyl]quinoline-7-carboxamide
CID 145126632
N-[3-(diethylamino)propyl]-3-ethoxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide
CID 21101104
ethyl 2-methyl-2-[2-methyl-4-[3-[[4-[3-(trifluoromethyl)phenyl]benzoyl]amino]propyl]phenoxy]propanoate
CID 69346990

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydro-1H-1,2,4-triazol-5-yl)propyl]-4-ethoxy-2-[3-(trifluoromethyl)phenyl]quinoline-7-carboxamide?
The IUPAC name of N-[3-(2,3-dihydro-1H-1,2,4-triazol-5-yl)propyl]-4-ethoxy-2-[3-(trifluoromethyl)phenyl]quinoline-7-carboxamide (CID 122431453) is N-[3-(2,3-dihydro-1H-1,2,4-triazol-5-yl)propyl]-4-ethoxy-2-[3-(trifluoromethyl)phenyl]quinoline-7-carboxamide.
What is the SMILES notation for N-[3-(2,3-dihydro-1H-1,2,4-triazol-5-yl)propyl]-4-ethoxy-2-[3-(trifluoromethyl)phenyl]quinoline-7-carboxamide?
The canonical SMILES for N-[3-(2,3-dihydro-1H-1,2,4-triazol-5-yl)propyl]-4-ethoxy-2-[3-(trifluoromethyl)phenyl]quinoline-7-carboxamide is CCOc1cc(-c2cccc(C(F)(F)F)c2)nc2cc(C(=O)NCCCC3=NCNN3)ccc12.
What is the InChIKey of N-[3-(2,3-dihydro-1H-1,2,4-triazol-5-yl)propyl]-4-ethoxy-2-[3-(trifluoromethyl)phenyl]quinoline-7-carboxamide?
The InChIKey is UPYFQWULKODZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5O2/c1-2-34-21-13-19(15-5-3-6-17(11-15)24(25,26)27)31-20-12-16(8-9-18(20)21)23(33)28-10-4-7-22-29-14-30-32-22/h3,5-6,8-9,11-13,30H,2,4,7,10,14H2,1H3,(H,28,33)(H,29,32).
What are the key properties of N-[3-(2,3-dihydro-1H-1,2,4-triazol-5-yl)propyl]-4-ethoxy-2-[3-(trifluoromethyl)phenyl]quinoline-7-carboxamide?
N-[3-(2,3-dihydro-1H-1,2,4-triazol-5-yl)propyl]-4-ethoxy-2-[3-(trifluoromethyl)phenyl]quinoline-7-carboxamide has a molecular weight of 471.48 g/mol, XLogP of 4.29, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydro-1H-1,2,4-triazol-5-yl)propyl]-4-ethoxy-2-[3-(trifluoromethyl)phenyl]quinoline-7-carboxamide is sourced from PubChem (CID 122431453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).