N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]quinoline-5-carboxamide

C20H17F3N2O2 — CID 26063547

IUPACN-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]quinoline-5-carboxamide
SMILESO=C(NCc1ccc(COCC(F)(F)F)cc1)c1cccc2ncccc12
InChIInChI=1S/C20H17F3N2O2/c21-20(22,23)13-27-12-15-8-6-14(7-9-15)11-25-19(26)17-3-1-5-18-16(17)4-2-10-24-18/h1-10H,11-13H2,(H,25,26)
InChIKeyVCNFDNQSORFCQP-UHFFFAOYSA-N
MW374.36 g/mol
LogP4.24
Rot. Bonds6

About N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]quinoline-5-carboxamide

N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]quinoline-5-carboxamide (PubChem CID 26063547) has the molecular formula C20H17F3N2O2 and a molecular weight of 374.36 g/mol. Its IUPAC name is N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]quinoline-5-carboxamide
PubChem CID26063547
Molecular FormulaC20H17F3N2O2
Molecular Weight374.36 g/mol
Exact Mass374.12
IUPAC NameN-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]quinoline-5-carboxamide
SMILESO=C(NCc1ccc(COCC(F)(F)F)cc1)c1cccc2ncccc12
InChIInChI=1S/C20H17F3N2O2/c21-20(22,23)13-27-12-15-8-6-14(7-9-15)11-25-19(26)17-3-1-5-18-16(17)4-2-10-24-18/h1-10H,11-13H2,(H,25,26)
InChIKeyVCNFDNQSORFCQP-UHFFFAOYSA-N
XLogP4.24
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-aminophenyl)methyl]quinoline-5-carboxamide
CID 62849516
2-morpholin-4-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 30357957
N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-indazole-7-carboxamide
CID 46576739
2-oxo-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyridine-3-carboxamide
CID 24599022
2-oxo-6-pyridin-2-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyridine-3-carboxamide
CID 47074838
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinoline-5-carboxamide
CID 26031383
1-benzyl-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]urea
CID 24664664
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]quinoline-5-carboxamide
CID 75503534
2,2,2-trifluoro-1-quinolin-5-ylethanone
CID 81220183
4-pyrrol-1-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide
CID 55493467
1-(3-chlorophenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 33103491
3,3,3-trifluoro-1-quinolin-5-ylpropan-1-one
CID 81220780

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]quinoline-5-carboxamide?
The IUPAC name of N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]quinoline-5-carboxamide (CID 26063547) is N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]quinoline-5-carboxamide.
What is the SMILES notation for N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]quinoline-5-carboxamide?
The canonical SMILES for N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]quinoline-5-carboxamide is O=C(NCc1ccc(COCC(F)(F)F)cc1)c1cccc2ncccc12.
What is the InChIKey of N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]quinoline-5-carboxamide?
The InChIKey is VCNFDNQSORFCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O2/c21-20(22,23)13-27-12-15-8-6-14(7-9-15)11-25-19(26)17-3-1-5-18-16(17)4-2-10-24-18/h1-10H,11-13H2,(H,25,26).
What are the key properties of N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]quinoline-5-carboxamide?
N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]quinoline-5-carboxamide has a molecular weight of 374.36 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]quinoline-5-carboxamide is sourced from PubChem (CID 26063547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).