N-[3-(hydroxymethyl)quinolin-7-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide

C21H17F3N2O2 — CID 11854668

IUPACN-[3-(hydroxymethyl)quinolin-7-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
SMILESCc1cc(/C=C/C(F)(F)F)ccc1C(=O)Nc1ccc2cc(CO)cnc2c1
InChIInChI=1S/C21H17F3N2O2/c1-13-8-14(6-7-21(22,23)24)2-5-18(13)20(28)26-17-4-3-16-9-15(12-27)11-25-19(16)10-17/h2-11,27H,12H2,1H3,(H,26,28)/b7-6+
InChIKeyQGLQLAFCHGLZHK-VOTSOKGWSA-N
MW386.37 g/mol
LogP4.86
Rot. Bonds4

About N-[3-(hydroxymethyl)quinolin-7-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide

N-[3-(hydroxymethyl)quinolin-7-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide (PubChem CID 11854668) has the molecular formula C21H17F3N2O2 and a molecular weight of 386.37 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)quinolin-7-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)quinolin-7-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
PubChem CID11854668
Molecular FormulaC21H17F3N2O2
Molecular Weight386.37 g/mol
Exact Mass386.12
IUPAC NameN-[3-(hydroxymethyl)quinolin-7-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
SMILESCc1cc(/C=C/C(F)(F)F)ccc1C(=O)Nc1ccc2cc(CO)cnc2c1
InChIInChI=1S/C21H17F3N2O2/c1-13-8-14(6-7-21(22,23)24)2-5-18(13)20(28)26-17-4-3-16-9-15(12-27)11-25-19(16)10-17/h2-11,27H,12H2,1H3,(H,26,28)/b7-6+
InChIKeyQGLQLAFCHGLZHK-VOTSOKGWSA-N
XLogP4.86
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.37
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)quinolin-7-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide?
The IUPAC name of N-[3-(hydroxymethyl)quinolin-7-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide (CID 11854668) is N-[3-(hydroxymethyl)quinolin-7-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide.
What is the SMILES notation for N-[3-(hydroxymethyl)quinolin-7-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide?
The canonical SMILES for N-[3-(hydroxymethyl)quinolin-7-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide is Cc1cc(/C=C/C(F)(F)F)ccc1C(=O)Nc1ccc2cc(CO)cnc2c1.
What is the InChIKey of N-[3-(hydroxymethyl)quinolin-7-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide?
The InChIKey is QGLQLAFCHGLZHK-VOTSOKGWSA-N. The full InChI is InChI=1S/C21H17F3N2O2/c1-13-8-14(6-7-21(22,23)24)2-5-18(13)20(28)26-17-4-3-16-9-15(12-27)11-25-19(16)10-17/h2-11,27H,12H2,1H3,(H,26,28)/b7-6+.
What are the key properties of N-[3-(hydroxymethyl)quinolin-7-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide?
N-[3-(hydroxymethyl)quinolin-7-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide has a molecular weight of 386.37 g/mol, XLogP of 4.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)quinolin-7-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide is sourced from PubChem (CID 11854668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).