N-[4-chloro-3-(methoxymethyl)quinolin-8-yl]-2-(trifluoromethyl)benzamide

C19H14ClF3N2O2 — CID 19592708

IUPACN-[4-chloro-3-(methoxymethyl)quinolin-8-yl]-2-(trifluoromethyl)benzamide
SMILESCOCc1cnc2c(NC(=O)c3ccccc3C(F)(F)F)cccc2c1Cl
InChIInChI=1S/C19H14ClF3N2O2/c1-27-10-11-9-24-17-13(16(11)20)6-4-8-15(17)25-18(26)12-5-2-3-7-14(12)19(21,22)23/h2-9H,10H2,1H3,(H,25,26)
InChIKeyPINSVPFPIFERRF-UHFFFAOYSA-N
MW394.78 g/mol
LogP5.31
Rot. Bonds4

About N-[4-chloro-3-(methoxymethyl)quinolin-8-yl]-2-(trifluoromethyl)benzamide

N-[4-chloro-3-(methoxymethyl)quinolin-8-yl]-2-(trifluoromethyl)benzamide (PubChem CID 19592708) has the molecular formula C19H14ClF3N2O2 and a molecular weight of 394.78 g/mol. Its IUPAC name is N-[4-chloro-3-(methoxymethyl)quinolin-8-yl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(methoxymethyl)quinolin-8-yl]-2-(trifluoromethyl)benzamide
PubChem CID19592708
Molecular FormulaC19H14ClF3N2O2
Molecular Weight394.78 g/mol
Exact Mass394.07
IUPAC NameN-[4-chloro-3-(methoxymethyl)quinolin-8-yl]-2-(trifluoromethyl)benzamide
SMILESCOCc1cnc2c(NC(=O)c3ccccc3C(F)(F)F)cccc2c1Cl
InChIInChI=1S/C19H14ClF3N2O2/c1-27-10-11-9-24-17-13(16(11)20)6-4-8-15(17)25-18(26)12-5-2-3-7-14(12)19(21,22)23/h2-9H,10H2,1H3,(H,25,26)
InChIKeyPINSVPFPIFERRF-UHFFFAOYSA-N
XLogP5.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.78
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(methoxymethyl)quinolin-8-yl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-chloro-3-(methoxymethyl)quinolin-8-yl]-2-(trifluoromethyl)benzamide (CID 19592708) is N-[4-chloro-3-(methoxymethyl)quinolin-8-yl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-chloro-3-(methoxymethyl)quinolin-8-yl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-chloro-3-(methoxymethyl)quinolin-8-yl]-2-(trifluoromethyl)benzamide is COCc1cnc2c(NC(=O)c3ccccc3C(F)(F)F)cccc2c1Cl.
What is the InChIKey of N-[4-chloro-3-(methoxymethyl)quinolin-8-yl]-2-(trifluoromethyl)benzamide?
The InChIKey is PINSVPFPIFERRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N2O2/c1-27-10-11-9-24-17-13(16(11)20)6-4-8-15(17)25-18(26)12-5-2-3-7-14(12)19(21,22)23/h2-9H,10H2,1H3,(H,25,26).
What are the key properties of N-[4-chloro-3-(methoxymethyl)quinolin-8-yl]-2-(trifluoromethyl)benzamide?
N-[4-chloro-3-(methoxymethyl)quinolin-8-yl]-2-(trifluoromethyl)benzamide has a molecular weight of 394.78 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(methoxymethyl)quinolin-8-yl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 19592708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).