N-(thiophen-2-ylmethyl)-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide

C29H20F3N3O2S — CID 10189630

IUPACN-(thiophen-2-ylmethyl)-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide
SMILESO=C(NCc1cccs1)c1cnc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc2c1
InChIInChI=1S/C29H20F3N3O2S/c30-29(31,32)21-10-7-18(8-11-21)24-5-1-2-6-25(24)28(37)35-22-12-9-19-14-20(16-33-26(19)15-22)27(36)34-17-23-4-3-13-38-23/h1-16H,17H2,(H,34,36)(H,35,37)
InChIKeyZFIYZVGCHOTFJA-UHFFFAOYSA-N
MW531.56 g/mol
LogP7.16
Rot. Bonds6

About N-(thiophen-2-ylmethyl)-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide

N-(thiophen-2-ylmethyl)-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide (PubChem CID 10189630) has the molecular formula C29H20F3N3O2S and a molecular weight of 531.56 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide
PubChem CID10189630
Molecular FormulaC29H20F3N3O2S
Molecular Weight531.56 g/mol
Exact Mass531.12
IUPAC NameN-(thiophen-2-ylmethyl)-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide
SMILESO=C(NCc1cccs1)c1cnc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc2c1
InChIInChI=1S/C29H20F3N3O2S/c30-29(31,32)21-10-7-18(8-11-21)24-5-1-2-6-25(24)28(37)35-22-12-9-19-14-20(16-33-26(19)15-22)27(36)34-17-23-4-3-13-38-23/h1-16H,17H2,(H,34,36)(H,35,37)
InChIKeyZFIYZVGCHOTFJA-UHFFFAOYSA-N
XLogP7.16
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.56
LogP ≤ 57.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(thiophen-2-ylmethyl)-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide with MolForge

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Related Compounds

N-propan-2-yl-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide
CID 10277298
N-cyclopropyl-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide
CID 10140350
ethanesulfonic acid;N-(1-pyridin-2-ylethyl)-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide
CID 10283066
7-[[2-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]quinoline-3-carboxylic acid
CID 22736861
N-[4-[(5-methylpyrazin-2-yl)methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;2-[4-(trifluoromethyl)phenyl]benzoic acid
CID 86591518
N-[[4-(4-methylphenyl)phenyl]methyl]-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyridine-3-carboxamide
CID 12051304
ethyl 7-[[2-(4-ethylphenyl)benzoyl]amino]quinoline-3-carboxylate
CID 70162303
2-methyl-N-[4-[[[3-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzoyl]amino]methyl]phenyl]benzamide
CID 70144080
N-[3-[[4-[(4-methylbenzoyl)amino]phenyl]methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 70145257
N-[3-(phenylcarbamoyl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 70143092
7-[(2-phenylbenzoyl)amino]-N-(1-pyridin-2-ylpropyl)quinoline-3-carboxamide
CID 10184681
methyl 2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-6-carboxylate
CID 59711001

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide?
The IUPAC name of N-(thiophen-2-ylmethyl)-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide (CID 10189630) is N-(thiophen-2-ylmethyl)-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide?
The canonical SMILES for N-(thiophen-2-ylmethyl)-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide is O=C(NCc1cccs1)c1cnc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc2c1.
What is the InChIKey of N-(thiophen-2-ylmethyl)-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide?
The InChIKey is ZFIYZVGCHOTFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20F3N3O2S/c30-29(31,32)21-10-7-18(8-11-21)24-5-1-2-6-25(24)28(37)35-22-12-9-19-14-20(16-33-26(19)15-22)27(36)34-17-23-4-3-13-38-23/h1-16H,17H2,(H,34,36)(H,35,37).
What are the key properties of N-(thiophen-2-ylmethyl)-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide?
N-(thiophen-2-ylmethyl)-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide has a molecular weight of 531.56 g/mol, XLogP of 7.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide is sourced from PubChem (CID 10189630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).