N-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide

C26H21F3N2O4 — CID 58154617

IUPACN-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide
SMILESO=C(Nc1cccc(OC[C@@H](O)CO)c1)c1cccc2ccc(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C26H21F3N2O4/c27-26(28,29)18-6-1-5-17(12-18)23-11-10-16-4-2-9-22(24(16)31-23)25(34)30-19-7-3-8-21(13-19)35-15-20(33)14-32/h1-13,20,32-33H,14-15H2,(H,30,34)/t20-/m0/s1
InChIKeyNYINQAODGPTBBV-FQEVSTJZSA-N
MW482.46 g/mol
LogP4.90
Rot. Bonds7

About N-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide

N-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide (PubChem CID 58154617) has the molecular formula C26H21F3N2O4 and a molecular weight of 482.46 g/mol. Its IUPAC name is N-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide
PubChem CID58154617
Molecular FormulaC26H21F3N2O4
Molecular Weight482.46 g/mol
Exact Mass482.15
IUPAC NameN-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide
SMILESO=C(Nc1cccc(OC[C@@H](O)CO)c1)c1cccc2ccc(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C26H21F3N2O4/c27-26(28,29)18-6-1-5-17(12-18)23-11-10-16-4-2-9-22(24(16)31-23)25(34)30-19-7-3-8-21(13-19)35-15-20(33)14-32/h1-13,20,32-33H,14-15H2,(H,30,34)/t20-/m0/s1
InChIKeyNYINQAODGPTBBV-FQEVSTJZSA-N
XLogP4.90
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.46
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(1,1-difluoroethyl)phenyl]-N-[3-(2,3-dihydroxypropoxy)phenyl]quinoline-8-carboxamide
CID 162140277
N-[2-(2,3-dihydroxypropoxy)-4-pyridinyl]-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide
CID 70852931
2-[4-chloro-2-(trifluoromethyl)phenyl]-N-[3-(2,3-dihydroxypropoxy)phenyl]-1H-benzimidazole-4-carboxamide
CID 58279101
N-[3-(2,3-dihydroxypropoxy)phenyl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide
CID 76739470
N-[3-[(2R)-2,3-dihydroxypropoxy]phenyl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide
CID 58279096
2-(3-chlorophenyl)-N-[3-(2,3-dihydroxypropoxy)phenyl]-1H-benzimidazole-4-carboxamide
CID 76739472
N-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide
CID 58154750
2-[2-(difluoromethyl)phenyl]-N-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]-1H-benzimidazole-4-carboxamide
CID 58278839
N-[6-(2,3-dihydroxypropoxy)-2-pyridinyl]-3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazoline-8-carboxamide
CID 45256868
N-[6-(2,3-dihydroxypropoxy)pyrazin-2-yl]-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide
CID 70853158
2-[4-chloro-2-(trifluoromethyl)phenyl]-N-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]-3H-imidazo[4,5-c]pyridine-7-carboxamide
CID 44600636
N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide
CID 66883790

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide?
The IUPAC name of N-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide (CID 58154617) is N-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide.
What is the SMILES notation for N-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide?
The canonical SMILES for N-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide is O=C(Nc1cccc(OC[C@@H](O)CO)c1)c1cccc2ccc(-c3cccc(C(F)(F)F)c3)nc12.
What is the InChIKey of N-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide?
The InChIKey is NYINQAODGPTBBV-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H21F3N2O4/c27-26(28,29)18-6-1-5-17(12-18)23-11-10-16-4-2-9-22(24(16)31-23)25(34)30-19-7-3-8-21(13-19)35-15-20(33)14-32/h1-13,20,32-33H,14-15H2,(H,30,34)/t20-/m0/s1.
What are the key properties of N-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide?
N-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide has a molecular weight of 482.46 g/mol, XLogP of 4.90, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide is sourced from PubChem (CID 58154617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).