4-chloro-6-(2,3-dihydrofuran-3-yl)-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide

C20H14ClF3N2O2S — CID 70649600

IUPAC4-chloro-6-(2,3-dihydrofuran-3-yl)-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide
SMILESO=C(NCc1cccs1)c1cc(Cl)c2cc(C3C=COC3)cc(C(F)(F)F)c2n1
InChIInChI=1S/C20H14ClF3N2O2S/c21-16-8-17(19(27)25-9-13-2-1-5-29-13)26-18-14(16)6-12(11-3-4-28-10-11)7-15(18)20(22,23)24/h1-8,11H,9-10H2,(H,25,27)
InChIKeyHCSIEFBATPWVFR-UHFFFAOYSA-N
MW438.86 g/mol
LogP5.53
Rot. Bonds4

About 4-chloro-6-(2,3-dihydrofuran-3-yl)-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide

4-chloro-6-(2,3-dihydrofuran-3-yl)-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide (PubChem CID 70649600) has the molecular formula C20H14ClF3N2O2S and a molecular weight of 438.86 g/mol. Its IUPAC name is 4-chloro-6-(2,3-dihydrofuran-3-yl)-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name4-chloro-6-(2,3-dihydrofuran-3-yl)-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide
PubChem CID70649600
Molecular FormulaC20H14ClF3N2O2S
Molecular Weight438.86 g/mol
Exact Mass438.04
IUPAC Name4-chloro-6-(2,3-dihydrofuran-3-yl)-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide
SMILESO=C(NCc1cccs1)c1cc(Cl)c2cc(C3C=COC3)cc(C(F)(F)F)c2n1
InChIInChI=1S/C20H14ClF3N2O2S/c21-16-8-17(19(27)25-9-13-2-1-5-29-13)26-18-14(16)6-12(11-3-4-28-10-11)7-15(18)20(22,23)24/h1-8,11H,9-10H2,(H,25,27)
InChIKeyHCSIEFBATPWVFR-UHFFFAOYSA-N
XLogP5.53
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.86
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-6-thiophen-3-yl-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 25189991
4,5-dichloro-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 110186920
6-fluoro-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 115496761
3-chloro-6-(furan-3-yl)-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 25189938
3-chloro-6-thiophen-2-yl-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 25190107
4-(methylamino)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide
CID 62165965
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 2484290
6-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43558368
(5R,7S)-5-(3,4-dichlorophenyl)-N-(thiophen-2-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1127660
8-sulfanyl-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide
CID 126609807
4-hydrazinyl-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide
CID 63375383
6-bromo-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 103874120

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,3-dihydrofuran-3-yl)-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide?
The IUPAC name of 4-chloro-6-(2,3-dihydrofuran-3-yl)-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide (CID 70649600) is 4-chloro-6-(2,3-dihydrofuran-3-yl)-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide.
What is the SMILES notation for 4-chloro-6-(2,3-dihydrofuran-3-yl)-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide?
The canonical SMILES for 4-chloro-6-(2,3-dihydrofuran-3-yl)-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide is O=C(NCc1cccs1)c1cc(Cl)c2cc(C3C=COC3)cc(C(F)(F)F)c2n1.
What is the InChIKey of 4-chloro-6-(2,3-dihydrofuran-3-yl)-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide?
The InChIKey is HCSIEFBATPWVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3N2O2S/c21-16-8-17(19(27)25-9-13-2-1-5-29-13)26-18-14(16)6-12(11-3-4-28-10-11)7-15(18)20(22,23)24/h1-8,11H,9-10H2,(H,25,27).
What are the key properties of 4-chloro-6-(2,3-dihydrofuran-3-yl)-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide?
4-chloro-6-(2,3-dihydrofuran-3-yl)-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide has a molecular weight of 438.86 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,3-dihydrofuran-3-yl)-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide is sourced from PubChem (CID 70649600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).