2-(cyclopropylmethoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide

C21H17F3N2O2 — CID 102496666

IUPAC2-(cyclopropylmethoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc2cccnc12)c1cc(C(F)(F)F)ccc1OCC1CC1
InChIInChI=1S/C21H17F3N2O2/c22-21(23,24)15-8-9-18(28-12-13-6-7-13)16(11-15)20(27)26-17-5-1-3-14-4-2-10-25-19(14)17/h1-5,8-11,13H,6-7,12H2,(H,26,27)
InChIKeyQLALGJZFISFYFA-UHFFFAOYSA-N
MW386.37 g/mol
LogP5.29
Rot. Bonds5

About 2-(cyclopropylmethoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide

2-(cyclopropylmethoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide (PubChem CID 102496666) has the molecular formula C21H17F3N2O2 and a molecular weight of 386.37 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide
PubChem CID102496666
Molecular FormulaC21H17F3N2O2
Molecular Weight386.37 g/mol
Exact Mass386.12
IUPAC Name2-(cyclopropylmethoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc2cccnc12)c1cc(C(F)(F)F)ccc1OCC1CC1
InChIInChI=1S/C21H17F3N2O2/c22-21(23,24)15-8-9-18(28-12-13-6-7-13)16(11-15)20(27)26-17-5-1-3-14-4-2-10-25-19(14)17/h1-5,8-11,13H,6-7,12H2,(H,26,27)
InChIKeyQLALGJZFISFYFA-UHFFFAOYSA-N
XLogP5.29
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.37
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-((2-ethylphenyl)methoxy)-N-(pyridin-3-yl)benzamide
CID 118911741
2-(benzyloxy)-5-(2-fluoropyridin-4-yl)-N-(pyridin-3-yl)benzamide
CID 68107965
2-methoxy-N-quinolin-8-ylbenzamide
CID 836519
2-ethoxy-N-quinolin-8-ylbenzamide
CID 836546
N-(5-bromoquinolin-8-yl)-2-methoxybenzamide
CID 1322110
3-(4-methoxyphenyl)-N-quinolin-3-ylpropanamide
CID 5299704
2-phenoxy-N-pyridin-3-ylbenzamide
CID 876892
N-(6,8,8-Trimethyl-5,6,7,8-tetrahydro-1,6-naphthyridine-3-yl)-3-(trifluoromethyl)-4-ethoxybenzamide
CID 9844292
N-(8,8-Dimethyl-5,6,7,8-tetrahydro-1,6-naphthyridine-3-yl)-3-(trifluoromethyl)-4-isopropoxybenzamide
CID 23508144
N-(8,8-Dimethyl-5,6,7,8-tetrahydro-1,6-naphthyridine-3-yl)-3-(trifluoromethyl)-4-ethoxybenzamide
CID 23508174
N-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-3,5-bis(trifluoromethyl)benzamide
CID 44511358
N-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-4-nitro-3-(trifluoromethyl)benzamide
CID 44511359

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-(cyclopropylmethoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide (CID 102496666) is 2-(cyclopropylmethoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(cyclopropylmethoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(cyclopropylmethoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide is O=C(Nc1cccc2cccnc12)c1cc(C(F)(F)F)ccc1OCC1CC1.
What is the InChIKey of 2-(cyclopropylmethoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide?
The InChIKey is QLALGJZFISFYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O2/c22-21(23,24)15-8-9-18(28-12-13-6-7-13)16(11-15)20(27)26-17-5-1-3-14-4-2-10-25-19(14)17/h1-5,8-11,13H,6-7,12H2,(H,26,27).
What are the key properties of 2-(cyclopropylmethoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide?
2-(cyclopropylmethoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide has a molecular weight of 386.37 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 102496666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).