N-[(1R)-1-(4-methoxy-2-pyridinyl)ethyl]-2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-6-carboxamide

C32H25F3N4O3 — CID 90801667

IUPACN-[(1R)-1-(4-methoxy-2-pyridinyl)ethyl]-2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-6-carboxamide
SMILESCOc1ccnc([C@@H](C)NC(=O)c2ccc3nc(NC(=O)c4ccccc4-c4ccc(C(F)(F)F)cc4)ccc3c2)c1
InChIInChI=1S/C32H25F3N4O3/c1-19(28-18-24(42-2)15-16-36-28)37-30(40)22-9-13-27-21(17-22)10-14-29(38-27)39-31(41)26-6-4-3-5-25(26)20-7-11-23(12-8-20)32(33,34)35/h3-19H,1-2H3,(H,37,40)(H,38,39,41)/t19-/m1/s1
InChIKeyXLMLUHXJGPYZRY-LJQANCHMSA-N
MW570.57 g/mol
LogP7.07
Rot. Bonds7

About N-[(1R)-1-(4-methoxy-2-pyridinyl)ethyl]-2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-6-carboxamide

N-[(1R)-1-(4-methoxy-2-pyridinyl)ethyl]-2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-6-carboxamide (PubChem CID 90801667) has the molecular formula C32H25F3N4O3 and a molecular weight of 570.57 g/mol. Its IUPAC name is N-[(1R)-1-(4-methoxy-2-pyridinyl)ethyl]-2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methoxy-2-pyridinyl)ethyl]-2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-6-carboxamide
PubChem CID90801667
Molecular FormulaC32H25F3N4O3
Molecular Weight570.57 g/mol
Exact Mass570.19
IUPAC NameN-[(1R)-1-(4-methoxy-2-pyridinyl)ethyl]-2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-6-carboxamide
SMILESCOc1ccnc([C@@H](C)NC(=O)c2ccc3nc(NC(=O)c4ccccc4-c4ccc(C(F)(F)F)cc4)ccc3c2)c1
InChIInChI=1S/C32H25F3N4O3/c1-19(28-18-24(42-2)15-16-36-28)37-30(40)22-9-13-27-21(17-22)10-14-29(38-27)39-31(41)26-6-4-3-5-25(26)20-7-11-23(12-8-20)32(33,34)35/h3-19H,1-2H3,(H,37,40)(H,38,39,41)/t19-/m1/s1
InChIKeyXLMLUHXJGPYZRY-LJQANCHMSA-N
XLogP7.07
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.57
LogP ≤ 57.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-1-(4-methoxy-2-pyridinyl)ethyl]-2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-6-carboxamide with MolForge

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Related Compounds

US11866436, Example 168
CID 164915043
Risimtinib
CID 145351764
4-methyl-3-(2-(methylamino)quinazolin-6-yl)-N-(4-(1-methylpiperidin-4-yloxy)phenyl)benzamide
CID 16086101
N-methyl-6-[[2-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide
CID 145351804
2-Amino-N-[4-Methoxy-3-(Trifluoromethyl)phenyl]-4-Methyl-3-[2-(Methylamino)quinazolin-6-Yl]benzamide
CID 86583042
N-[(1S)-2-[[(4-Fluorophenyl)methyl]amino]-2-oxo-1-phenylethyl]-2-[[[4a(2)-(1-methylethoxy)[1,1a(2)-biphenyl]-2-yl]carbonyl]amino]-6-quinolinecarboxamide
CID 71460105
N-methyl-6-[[2-[[4-(3-methylpiperazin-1-yl)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide
CID 145351783
1-[[(1R)-1-[4-fluoro-3-[(3-fluoro-4-methoxybenzoyl)amino]phenyl]ethyl]amino]isoquinoline-5-carboxamide
CID 68078668
US10807959, Example 51
CID 146370797
Piperazine, 1-(2,6-dimethoxy-4-pyrimidinyl)-4-(4-((7-(trifluoromethyl)-4-quinolinyl)amino)benzoyl)-
CID 3055245
Mcl-1 inhibitor 17
CID 9550319
4-[(4-benzylpiperazin-1-yl)carbonyl]-N-(4-methoxyphenyl)isoquinolin-1-amine
CID 9550715

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methoxy-2-pyridinyl)ethyl]-2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-6-carboxamide?
The IUPAC name of N-[(1R)-1-(4-methoxy-2-pyridinyl)ethyl]-2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-6-carboxamide (CID 90801667) is N-[(1R)-1-(4-methoxy-2-pyridinyl)ethyl]-2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-6-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-methoxy-2-pyridinyl)ethyl]-2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-6-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-methoxy-2-pyridinyl)ethyl]-2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-6-carboxamide is COc1ccnc([C@@H](C)NC(=O)c2ccc3nc(NC(=O)c4ccccc4-c4ccc(C(F)(F)F)cc4)ccc3c2)c1.
What is the InChIKey of N-[(1R)-1-(4-methoxy-2-pyridinyl)ethyl]-2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-6-carboxamide?
The InChIKey is XLMLUHXJGPYZRY-LJQANCHMSA-N. The full InChI is InChI=1S/C32H25F3N4O3/c1-19(28-18-24(42-2)15-16-36-28)37-30(40)22-9-13-27-21(17-22)10-14-29(38-27)39-31(41)26-6-4-3-5-25(26)20-7-11-23(12-8-20)32(33,34)35/h3-19H,1-2H3,(H,37,40)(H,38,39,41)/t19-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methoxy-2-pyridinyl)ethyl]-2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-6-carboxamide?
N-[(1R)-1-(4-methoxy-2-pyridinyl)ethyl]-2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-6-carboxamide has a molecular weight of 570.57 g/mol, XLogP of 7.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methoxy-2-pyridinyl)ethyl]-2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-6-carboxamide is sourced from PubChem (CID 90801667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).