N-[(2R)-1-(2,6-dichlorophenoxy)propan-2-yl]-3-hydroxy-2-oxo-6-(trifluoromethoxy)-1H-quinoline-4-carboxamide

C20H15Cl2F3N2O5 — CID 90355312

IUPACN-[(2R)-1-(2,6-dichlorophenoxy)propan-2-yl]-3-hydroxy-2-oxo-6-(trifluoromethoxy)-1H-quinoline-4-carboxamide
SMILESC[C@H](COc1c(Cl)cccc1Cl)NC(=O)c1c(O)c(=O)[nH]c2ccc(OC(F)(F)F)cc12
InChIInChI=1S/C20H15Cl2F3N2O5/c1-9(8-31-17-12(21)3-2-4-13(17)22)26-18(29)15-11-7-10(32-20(23,24)25)5-6-14(11)27-19(30)16(15)28/h2-7,9,28H,8H2,1H3,(H,26,29)(H,27,30)/t9-/m1/s1
InChIKeyQVLDAAPUWMMRPX-SECBINFHSA-N
MW491.25 g/mol
LogP4.64
Rot. Bonds6

About N-[(2R)-1-(2,6-dichlorophenoxy)propan-2-yl]-3-hydroxy-2-oxo-6-(trifluoromethoxy)-1H-quinoline-4-carboxamide

N-[(2R)-1-(2,6-dichlorophenoxy)propan-2-yl]-3-hydroxy-2-oxo-6-(trifluoromethoxy)-1H-quinoline-4-carboxamide (PubChem CID 90355312) has the molecular formula C20H15Cl2F3N2O5 and a molecular weight of 491.25 g/mol. Its IUPAC name is N-[(2R)-1-(2,6-dichlorophenoxy)propan-2-yl]-3-hydroxy-2-oxo-6-(trifluoromethoxy)-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(2,6-dichlorophenoxy)propan-2-yl]-3-hydroxy-2-oxo-6-(trifluoromethoxy)-1H-quinoline-4-carboxamide
PubChem CID90355312
Molecular FormulaC20H15Cl2F3N2O5
Molecular Weight491.25 g/mol
Exact Mass490.03
IUPAC NameN-[(2R)-1-(2,6-dichlorophenoxy)propan-2-yl]-3-hydroxy-2-oxo-6-(trifluoromethoxy)-1H-quinoline-4-carboxamide
SMILESC[C@H](COc1c(Cl)cccc1Cl)NC(=O)c1c(O)c(=O)[nH]c2ccc(OC(F)(F)F)cc12
InChIInChI=1S/C20H15Cl2F3N2O5/c1-9(8-31-17-12(21)3-2-4-13(17)22)26-18(29)15-11-7-10(32-20(23,24)25)5-6-14(11)27-19(30)16(15)28/h2-7,9,28H,8H2,1H3,(H,26,29)(H,27,30)/t9-/m1/s1
InChIKeyQVLDAAPUWMMRPX-SECBINFHSA-N
XLogP4.64
TPSA100.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.25
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-hydroxy-2-oxo-6-(trifluoromethoxy)-1H-quinoline-4-carboxamide
CID 90355108
2-[2-(2,3-dichlorophenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid
CID 3967064
N-(1-aminopropan-2-yl)-5-methoxy-2-methyl-1H-indole-3-carboxamide
CID 110833689
1-(2-chloro-6-methylphenoxy)propan-2-ylcarbamic acid
CID 54136497
5-amino-N-[1-(3-chloro-2-fluorophenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 118574882
5-amino-N-[1-(4-chloro-3-fluorophenoxy)propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 118574706
4-(trifluoromethoxy)-N-[8-[[4-(trifluoromethoxy)benzoyl]amino]nonan-2-yl]benzamide
CID 21452885
2-[2-(3-chlorophenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid
CID 3263255
5-amino-N-[1-[2-chloro-4-(trifluoromethyl)phenoxy]propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 118574746
1-(2,6-dichlorophenoxy)propan-2-ylhydrazine
CID 82291003
2-oxo-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3-dihydrobenzimidazole-5-carboxamide
CID 174334932
N-[(2S)-1-(2,6-dimethylphenoxy)propan-2-yl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136710891

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(2,6-dichlorophenoxy)propan-2-yl]-3-hydroxy-2-oxo-6-(trifluoromethoxy)-1H-quinoline-4-carboxamide?
The IUPAC name of N-[(2R)-1-(2,6-dichlorophenoxy)propan-2-yl]-3-hydroxy-2-oxo-6-(trifluoromethoxy)-1H-quinoline-4-carboxamide (CID 90355312) is N-[(2R)-1-(2,6-dichlorophenoxy)propan-2-yl]-3-hydroxy-2-oxo-6-(trifluoromethoxy)-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[(2R)-1-(2,6-dichlorophenoxy)propan-2-yl]-3-hydroxy-2-oxo-6-(trifluoromethoxy)-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[(2R)-1-(2,6-dichlorophenoxy)propan-2-yl]-3-hydroxy-2-oxo-6-(trifluoromethoxy)-1H-quinoline-4-carboxamide is C[C@H](COc1c(Cl)cccc1Cl)NC(=O)c1c(O)c(=O)[nH]c2ccc(OC(F)(F)F)cc12.
What is the InChIKey of N-[(2R)-1-(2,6-dichlorophenoxy)propan-2-yl]-3-hydroxy-2-oxo-6-(trifluoromethoxy)-1H-quinoline-4-carboxamide?
The InChIKey is QVLDAAPUWMMRPX-SECBINFHSA-N. The full InChI is InChI=1S/C20H15Cl2F3N2O5/c1-9(8-31-17-12(21)3-2-4-13(17)22)26-18(29)15-11-7-10(32-20(23,24)25)5-6-14(11)27-19(30)16(15)28/h2-7,9,28H,8H2,1H3,(H,26,29)(H,27,30)/t9-/m1/s1.
What are the key properties of N-[(2R)-1-(2,6-dichlorophenoxy)propan-2-yl]-3-hydroxy-2-oxo-6-(trifluoromethoxy)-1H-quinoline-4-carboxamide?
N-[(2R)-1-(2,6-dichlorophenoxy)propan-2-yl]-3-hydroxy-2-oxo-6-(trifluoromethoxy)-1H-quinoline-4-carboxamide has a molecular weight of 491.25 g/mol, XLogP of 4.64, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(2,6-dichlorophenoxy)propan-2-yl]-3-hydroxy-2-oxo-6-(trifluoromethoxy)-1H-quinoline-4-carboxamide is sourced from PubChem (CID 90355312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).