2-amino-2-pyridin-2-ylethanol;N-(2-hydroxy-1-pyridin-2-ylethyl)-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide;8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxylic acid

C48H38F6N6O7 — CID 161386007

IUPAC2-amino-2-pyridin-2-ylethanol;N-(2-hydroxy-1-pyridin-2-ylethyl)-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide;8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxylic acid
SMILESNC(CO)c1ccccn1.O=C(NC(CO)c1ccccn1)c1cnc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1.O=C(O)c1cnc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1
InChIInChI=1S/C24H18F3N3O3.C17H10F3NO3.C7H10N2O/c25-24(26,27)17-7-9-18(10-8-17)33-21-6-3-4-15-12-16(13-29-22(15)21)23(32)30-20(14-31)19-5-1-2-11-28-19;18-17(19,20)12-4-6-13(7-5-12)24-14-3-1-2-10-8-11(16(22)23)9-21-15(10)14;8-6(5-10)7-3-1-2-4-9-7/h1-13,20,31H,14H2,(H,30,32);1-9H,(H,22,23);1-4,6,10H,5,8H2
InChIKeyVSIXZGXRVHLSLQ-UHFFFAOYSA-N
MW924.86 g/mol
LogP9.72
Rot. Bonds11

About 2-amino-2-pyridin-2-ylethanol;N-(2-hydroxy-1-pyridin-2-ylethyl)-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide;8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxylic acid

2-amino-2-pyridin-2-ylethanol;N-(2-hydroxy-1-pyridin-2-ylethyl)-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide;8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxylic acid (PubChem CID 161386007) has the molecular formula C48H38F6N6O7 and a molecular weight of 924.86 g/mol. Its IUPAC name is 2-amino-2-pyridin-2-ylethanol;N-(2-hydroxy-1-pyridin-2-ylethyl)-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide;8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-2-pyridin-2-ylethanol;N-(2-hydroxy-1-pyridin-2-ylethyl)-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide;8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxylic acid
PubChem CID161386007
Molecular FormulaC48H38F6N6O7
Molecular Weight924.86 g/mol
Exact Mass924.27
IUPAC Name2-amino-2-pyridin-2-ylethanol;N-(2-hydroxy-1-pyridin-2-ylethyl)-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide;8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxylic acid
SMILESNC(CO)c1ccccn1.O=C(NC(CO)c1ccccn1)c1cnc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1.O=C(O)c1cnc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1
InChIInChI=1S/C24H18F3N3O3.C17H10F3NO3.C7H10N2O/c25-24(26,27)17-7-9-18(10-8-17)33-21-6-3-4-15-12-16(13-29-22(15)21)23(32)30-20(14-31)19-5-1-2-11-28-19;18-17(19,20)12-4-6-13(7-5-12)24-14-3-1-2-10-8-11(16(22)23)9-21-15(10)14;8-6(5-10)7-3-1-2-4-9-7/h1-13,20,31H,14H2,(H,30,32);1-9H,(H,22,23);1-4,6,10H,5,8H2
InChIKeyVSIXZGXRVHLSLQ-UHFFFAOYSA-N
XLogP9.72
TPSA202.90 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500924.86
LogP ≤ 59.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze 2-amino-2-pyridin-2-ylethanol;N-(2-hydroxy-1-pyridin-2-ylethyl)-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide;8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxylic acid with MolForge

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Related Compounds

4-[3-[(4-fluorobenzoyl)amino]anilino]-8-hydroxy-N-[(4-methoxyphenyl)methyl]quinoline-3-carboxamide;2,2,2-trifluoroacetic acid
CID 44533746
8-hydroxy-N-[(4-methoxyphenyl)methyl]-4-[3-[(4-phenylbenzoyl)amino]anilino]quinoline-3-carboxamide;2,2,2-trifluoroacetic acid
CID 44533758
N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-6-methoxyquinoline-3-carboxamide
CID 122183782
N-[(1R)-1-pyridin-2-ylethyl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide
CID 155213858
N-[(2R)-1-hydroxypropan-2-yl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide
CID 155213902
N-(2-hydroxy-1-pyridin-2-ylethyl)-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide
CID 155213915
N-[(1S)-1-pyridin-2-ylethyl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide
CID 155213999
N-[(2S)-1-methoxypropan-2-yl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide
CID 155214032
N-(2-hydroxy-1-pyridin-2-ylethyl)-6-methoxy-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide
CID 155214149
5,6-difluoro-N-[(2R)-1-hydroxypropan-2-yl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide
CID 155214225
N-[(2R)-1-methoxypropan-2-yl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide
CID 155214291
Ethyl 4-[6-(5-fluoro-2-methoxy-3-pyridinyl)-3-pyridinyl]-8-methoxyquinoline-3-carboxylate
CID 168275316

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-pyridin-2-ylethanol;N-(2-hydroxy-1-pyridin-2-ylethyl)-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide;8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxylic acid?
The IUPAC name of 2-amino-2-pyridin-2-ylethanol;N-(2-hydroxy-1-pyridin-2-ylethyl)-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide;8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxylic acid (CID 161386007) is 2-amino-2-pyridin-2-ylethanol;N-(2-hydroxy-1-pyridin-2-ylethyl)-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide;8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxylic acid.
What is the SMILES notation for 2-amino-2-pyridin-2-ylethanol;N-(2-hydroxy-1-pyridin-2-ylethyl)-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide;8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxylic acid?
The canonical SMILES for 2-amino-2-pyridin-2-ylethanol;N-(2-hydroxy-1-pyridin-2-ylethyl)-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide;8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxylic acid is NC(CO)c1ccccn1.O=C(NC(CO)c1ccccn1)c1cnc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1.O=C(O)c1cnc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1.
What is the InChIKey of 2-amino-2-pyridin-2-ylethanol;N-(2-hydroxy-1-pyridin-2-ylethyl)-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide;8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxylic acid?
The InChIKey is VSIXZGXRVHLSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O3.C17H10F3NO3.C7H10N2O/c25-24(26,27)17-7-9-18(10-8-17)33-21-6-3-4-15-12-16(13-29-22(15)21)23(32)30-20(14-31)19-5-1-2-11-28-19;18-17(19,20)12-4-6-13(7-5-12)24-14-3-1-2-10-8-11(16(22)23)9-21-15(10)14;8-6(5-10)7-3-1-2-4-9-7/h1-13,20,31H,14H2,(H,30,32);1-9H,(H,22,23);1-4,6,10H,5,8H2.
What are the key properties of 2-amino-2-pyridin-2-ylethanol;N-(2-hydroxy-1-pyridin-2-ylethyl)-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide;8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxylic acid?
2-amino-2-pyridin-2-ylethanol;N-(2-hydroxy-1-pyridin-2-ylethyl)-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide;8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxylic acid has a molecular weight of 924.86 g/mol, XLogP of 9.72, 11 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-pyridin-2-ylethanol;N-(2-hydroxy-1-pyridin-2-ylethyl)-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide;8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxylic acid is sourced from PubChem (CID 161386007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).