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

C32H24F3N3O3 — CID 10302939

IUPACN-[(2-methoxyphenyl)methyl]-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cnc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc2c1
InChIInChI=1S/C32H24F3N3O3/c1-41-29-9-5-2-6-22(29)18-37-30(39)23-16-21-12-15-25(17-28(21)36-19-23)38-31(40)27-8-4-3-7-26(27)20-10-13-24(14-11-20)32(33,34)35/h2-17,19H,18H2,1H3,(H,37,39)(H,38,40)
InChIKeyQPHCWVAITBPEHL-UHFFFAOYSA-N
MW555.56 g/mol
LogP7.11
Rot. Bonds7

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

N-[(2-methoxyphenyl)methyl]-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide (PubChem CID 10302939) has the molecular formula C32H24F3N3O3 and a molecular weight of 555.56 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide
PubChem CID10302939
Molecular FormulaC32H24F3N3O3
Molecular Weight555.56 g/mol
Exact Mass555.18
IUPAC NameN-[(2-methoxyphenyl)methyl]-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cnc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc2c1
InChIInChI=1S/C32H24F3N3O3/c1-41-29-9-5-2-6-22(29)18-37-30(39)23-16-21-12-15-25(17-28(21)36-19-23)38-31(40)27-8-4-3-7-26(27)20-10-13-24(14-11-20)32(33,34)35/h2-17,19H,18H2,1H3,(H,37,39)(H,38,40)
InChIKeyQPHCWVAITBPEHL-UHFFFAOYSA-N
XLogP7.11
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.56
LogP ≤ 57.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide (CID 10302939) is N-[(2-methoxyphenyl)methyl]-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide is COc1ccccc1CNC(=O)c1cnc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc2c1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide?
The InChIKey is QPHCWVAITBPEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24F3N3O3/c1-41-29-9-5-2-6-22(29)18-37-30(39)23-16-21-12-15-25(17-28(21)36-19-23)38-31(40)27-8-4-3-7-26(27)20-10-13-24(14-11-20)32(33,34)35/h2-17,19H,18H2,1H3,(H,37,39)(H,38,40).
What are the key properties of N-[(2-methoxyphenyl)methyl]-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide?
N-[(2-methoxyphenyl)methyl]-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide has a molecular weight of 555.56 g/mol, XLogP of 7.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide is sourced from PubChem (CID 10302939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).