N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5,8-dihydroxy-7,8-dihydro-6H-quinoline-5-carboxamide

C18H16ClF3N2O3 — CID 142429464

IUPACN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5,8-dihydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1Cl)C1(O)CCC(O)c2ncccc21
InChIInChI=1S/C18H16ClF3N2O3/c19-14-10(3-1-4-11(14)18(20,21)22)9-24-16(26)17(27)7-6-13(25)15-12(17)5-2-8-23-15/h1-5,8,13,25,27H,6-7,9H2,(H,24,26)
InChIKeyZMFZFIORXKOOJR-UHFFFAOYSA-N
MW400.78 g/mol
LogP3.09
Rot. Bonds3

About N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5,8-dihydroxy-7,8-dihydro-6H-quinoline-5-carboxamide

N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5,8-dihydroxy-7,8-dihydro-6H-quinoline-5-carboxamide (PubChem CID 142429464) has the molecular formula C18H16ClF3N2O3 and a molecular weight of 400.78 g/mol. Its IUPAC name is N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5,8-dihydroxy-7,8-dihydro-6H-quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5,8-dihydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
PubChem CID142429464
Molecular FormulaC18H16ClF3N2O3
Molecular Weight400.78 g/mol
Exact Mass400.08
IUPAC NameN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5,8-dihydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1Cl)C1(O)CCC(O)c2ncccc21
InChIInChI=1S/C18H16ClF3N2O3/c19-14-10(3-1-4-11(14)18(20,21)22)9-24-16(26)17(27)7-6-13(25)15-12(17)5-2-8-23-15/h1-5,8,13,25,27H,6-7,9H2,(H,24,26)
InChIKeyZMFZFIORXKOOJR-UHFFFAOYSA-N
XLogP3.09
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.78
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5,8-dihydroxy-7,8-dihydro-6H-quinoline-5-carboxamide with MolForge

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Related Compounds

N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
CID 156663783
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5-fluoro-8-hydroxy-8-methyl-6,7-dihydroquinoline-5-carboxamide
CID 135331605
(5R,8R)-N-[(4-chloro-2-fluorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
CID 142429405
N-[(4-chlorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
CID 156663787
(5S,8S)-N-[(2-chloro-5-fluorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
CID 142429449
tert-butyl 2-[5-[[2-chloro-3-(trifluoromethyl)phenyl]methylcarbamoyl]-5,6,7,8-tetrahydroquinolin-8-yl]acetate
CID 155433549
N-[(2-chloro-4-methylphenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
CID 156663756
N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
CID 156663784
(5S,8S)-N-[(2,4-difluorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
CID 135330653
1-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-(2-fluoroethyl)urea
CID 25119147
N-[(4-chloro-3-fluorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
CID 156663825
2-[5-[3-[2-chloro-3-(trifluoromethyl)phenyl]propanoyl]-5,6,7,8-tetrahydroquinolin-8-yl]acetamide
CID 162114176

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5,8-dihydroxy-7,8-dihydro-6H-quinoline-5-carboxamide?
The IUPAC name of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5,8-dihydroxy-7,8-dihydro-6H-quinoline-5-carboxamide (CID 142429464) is N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5,8-dihydroxy-7,8-dihydro-6H-quinoline-5-carboxamide.
What is the SMILES notation for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5,8-dihydroxy-7,8-dihydro-6H-quinoline-5-carboxamide?
The canonical SMILES for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5,8-dihydroxy-7,8-dihydro-6H-quinoline-5-carboxamide is O=C(NCc1cccc(C(F)(F)F)c1Cl)C1(O)CCC(O)c2ncccc21.
What is the InChIKey of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5,8-dihydroxy-7,8-dihydro-6H-quinoline-5-carboxamide?
The InChIKey is ZMFZFIORXKOOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N2O3/c19-14-10(3-1-4-11(14)18(20,21)22)9-24-16(26)17(27)7-6-13(25)15-12(17)5-2-8-23-15/h1-5,8,13,25,27H,6-7,9H2,(H,24,26).
What are the key properties of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5,8-dihydroxy-7,8-dihydro-6H-quinoline-5-carboxamide?
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5,8-dihydroxy-7,8-dihydro-6H-quinoline-5-carboxamide has a molecular weight of 400.78 g/mol, XLogP of 3.09, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5,8-dihydroxy-7,8-dihydro-6H-quinoline-5-carboxamide is sourced from PubChem (CID 142429464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).