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

C17H14ClF4N3O2 — CID 156663784

IUPACN-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
SMILESO=C(NCc1ncc(C(F)(F)F)cc1Cl)C1(F)CCC(O)c2ncccc21
InChIInChI=1S/C17H14ClF4N3O2/c18-11-6-9(17(20,21)22)7-24-12(11)8-25-15(27)16(19)4-3-13(26)14-10(16)2-1-5-23-14/h1-2,5-7,13,26H,3-4,8H2,(H,25,27)
InChIKeyXASACBREAZNPKH-UHFFFAOYSA-N
MW403.76 g/mol
LogP3.46
Rot. Bonds3

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

N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide (PubChem CID 156663784) has the molecular formula C17H14ClF4N3O2 and a molecular weight of 403.76 g/mol. Its IUPAC name is N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
PubChem CID156663784
Molecular FormulaC17H14ClF4N3O2
Molecular Weight403.76 g/mol
Exact Mass403.07
IUPAC NameN-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
SMILESO=C(NCc1ncc(C(F)(F)F)cc1Cl)C1(F)CCC(O)c2ncccc21
InChIInChI=1S/C17H14ClF4N3O2/c18-11-6-9(17(20,21)22)7-24-12(11)8-25-15(27)16(19)4-3-13(26)14-10(16)2-1-5-23-14/h1-2,5-7,13,26H,3-4,8H2,(H,25,27)
InChIKeyXASACBREAZNPKH-UHFFFAOYSA-N
XLogP3.46
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.76
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-fluoro-8-hydroxy-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-[(4-chloro-3-fluorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
CID 156663825
(5S,8S)-N-[(2-chloro-5-fluorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
CID 142429449
N-[(2-chloro-4-methylphenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
CID 156663756
(5R,8R)-N-[(4-chloro-2-fluorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
CID 142429405
(5R,8S)-N-[2,4-dichloro-6-(difluoromethyl)phenyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
CID 174109747
N-[(2,4-dichloro-6-fluorophenyl)methyl]-5-fluoro-8-methoxy-7,8-dihydro-6H-quinoline-5-carboxamide
CID 156663855
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-3-phenylurea
CID 2745366
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-5,8-dihydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
CID 142429464
(5S,8S)-N-[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
CID 135331645
2-(4-chlorophenyl)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]acetamide
CID 110208650
3-(2-chloro-4,5-difluorophenyl)-1-[(5S,8R)-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinolin-5-yl]propan-1-one
CID 161192957

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide?
The IUPAC name of N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide (CID 156663784) is N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide.
What is the SMILES notation for N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide?
The canonical SMILES for N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide is O=C(NCc1ncc(C(F)(F)F)cc1Cl)C1(F)CCC(O)c2ncccc21.
What is the InChIKey of N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide?
The InChIKey is XASACBREAZNPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF4N3O2/c18-11-6-9(17(20,21)22)7-24-12(11)8-25-15(27)16(19)4-3-13(26)14-10(16)2-1-5-23-14/h1-2,5-7,13,26H,3-4,8H2,(H,25,27).
What are the key properties of N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide?
N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide has a molecular weight of 403.76 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide is sourced from PubChem (CID 156663784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).