N-methyl-N-(quinolin-7-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide

C18H13F3N2O2S — CID 67314606

IUPACN-methyl-N-(quinolin-7-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
SMILESCN(Cc1ccc2cccnc2c1)C(=O)c1ccc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C18H13F3N2O2S/c1-23(10-11-4-5-12-3-2-8-22-13(12)9-11)17(25)15-7-6-14(26-15)16(24)18(19,20)21/h2-9H,10H2,1H3
InChIKeyJCGPUONRZTZAKV-UHFFFAOYSA-N
MW378.38 g/mol
LogP4.31
Rot. Bonds4

About N-methyl-N-(quinolin-7-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide

N-methyl-N-(quinolin-7-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide (PubChem CID 67314606) has the molecular formula C18H13F3N2O2S and a molecular weight of 378.38 g/mol. Its IUPAC name is N-methyl-N-(quinolin-7-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(quinolin-7-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
PubChem CID67314606
Molecular FormulaC18H13F3N2O2S
Molecular Weight378.38 g/mol
Exact Mass378.06
IUPAC NameN-methyl-N-(quinolin-7-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
SMILESCN(Cc1ccc2cccnc2c1)C(=O)c1ccc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C18H13F3N2O2S/c1-23(10-11-4-5-12-3-2-8-22-13(12)9-11)17(25)15-7-6-14(26-15)16(24)18(19,20)21/h2-9H,10H2,1H3
InChIKeyJCGPUONRZTZAKV-UHFFFAOYSA-N
XLogP4.31
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(quinolin-7-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The IUPAC name of N-methyl-N-(quinolin-7-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide (CID 67314606) is N-methyl-N-(quinolin-7-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide.
What is the SMILES notation for N-methyl-N-(quinolin-7-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The canonical SMILES for N-methyl-N-(quinolin-7-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide is CN(Cc1ccc2cccnc2c1)C(=O)c1ccc(C(=O)C(F)(F)F)s1.
What is the InChIKey of N-methyl-N-(quinolin-7-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The InChIKey is JCGPUONRZTZAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O2S/c1-23(10-11-4-5-12-3-2-8-22-13(12)9-11)17(25)15-7-6-14(26-15)16(24)18(19,20)21/h2-9H,10H2,1H3.
What are the key properties of N-methyl-N-(quinolin-7-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
N-methyl-N-(quinolin-7-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide has a molecular weight of 378.38 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(quinolin-7-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide is sourced from PubChem (CID 67314606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).