N-[7-methyl-5-(trifluoromethyl)quinolin-8-yl]benzamide

C18H13F3N2O — CID 164511214

IUPACN-[7-methyl-5-(trifluoromethyl)quinolin-8-yl]benzamide
SMILESCc1cc(C(F)(F)F)c2cccnc2c1NC(=O)c1ccccc1
InChIInChI=1S/C18H13F3N2O/c1-11-10-14(18(19,20)21)13-8-5-9-22-16(13)15(11)23-17(24)12-6-3-2-4-7-12/h2-10H,1H3,(H,23,24)
InChIKeyQGUNPDCZGZSYSR-UHFFFAOYSA-N
MW330.31 g/mol
LogP4.81
Rot. Bonds2

About N-[7-methyl-5-(trifluoromethyl)quinolin-8-yl]benzamide

N-[7-methyl-5-(trifluoromethyl)quinolin-8-yl]benzamide (PubChem CID 164511214) has the molecular formula C18H13F3N2O and a molecular weight of 330.31 g/mol. Its IUPAC name is N-[7-methyl-5-(trifluoromethyl)quinolin-8-yl]benzamide.

Molecular Properties

Compound NameN-[7-methyl-5-(trifluoromethyl)quinolin-8-yl]benzamide
PubChem CID164511214
Molecular FormulaC18H13F3N2O
Molecular Weight330.31 g/mol
Exact Mass330.10
IUPAC NameN-[7-methyl-5-(trifluoromethyl)quinolin-8-yl]benzamide
SMILESCc1cc(C(F)(F)F)c2cccnc2c1NC(=O)c1ccccc1
InChIInChI=1S/C18H13F3N2O/c1-11-10-14(18(19,20)21)13-8-5-9-22-16(13)15(11)23-17(24)12-6-3-2-4-7-12/h2-10H,1H3,(H,23,24)
InChIKeyQGUNPDCZGZSYSR-UHFFFAOYSA-N
XLogP4.81
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[7-methyl-5-(trifluoromethyl)quinolin-8-yl]benzamide?
The IUPAC name of N-[7-methyl-5-(trifluoromethyl)quinolin-8-yl]benzamide (CID 164511214) is N-[7-methyl-5-(trifluoromethyl)quinolin-8-yl]benzamide.
What is the SMILES notation for N-[7-methyl-5-(trifluoromethyl)quinolin-8-yl]benzamide?
The canonical SMILES for N-[7-methyl-5-(trifluoromethyl)quinolin-8-yl]benzamide is Cc1cc(C(F)(F)F)c2cccnc2c1NC(=O)c1ccccc1.
What is the InChIKey of N-[7-methyl-5-(trifluoromethyl)quinolin-8-yl]benzamide?
The InChIKey is QGUNPDCZGZSYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O/c1-11-10-14(18(19,20)21)13-8-5-9-22-16(13)15(11)23-17(24)12-6-3-2-4-7-12/h2-10H,1H3,(H,23,24).
What are the key properties of N-[7-methyl-5-(trifluoromethyl)quinolin-8-yl]benzamide?
N-[7-methyl-5-(trifluoromethyl)quinolin-8-yl]benzamide has a molecular weight of 330.31 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-methyl-5-(trifluoromethyl)quinolin-8-yl]benzamide is sourced from PubChem (CID 164511214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).