(5R,8S)-N-[2,4-dichloro-6-(difluoromethyl)phenyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide

C17H13Cl2F3N2O2 — CID 174109747

IUPAC(5R,8S)-N-[2,4-dichloro-6-(difluoromethyl)phenyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
SMILESO=C(Nc1c(Cl)cc(Cl)cc1C(F)F)[C@@]1(F)CC[C@H](O)c2ncccc21
InChIInChI=1S/C17H13Cl2F3N2O2/c18-8-6-9(15(20)21)13(11(19)7-8)24-16(26)17(22)4-3-12(25)14-10(17)2-1-5-23-14/h1-2,5-7,12,15,25H,3-4H2,(H,24,26)/t12-,17+/m0/s1
InChIKeyHFEIJMAVPOSBKC-YVEFUNNKSA-N
MW405.20 g/mol
LogP4.96
Rot. Bonds3

About (5R,8S)-N-[2,4-dichloro-6-(difluoromethyl)phenyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide

(5R,8S)-N-[2,4-dichloro-6-(difluoromethyl)phenyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide (PubChem CID 174109747) has the molecular formula C17H13Cl2F3N2O2 and a molecular weight of 405.20 g/mol. Its IUPAC name is (5R,8S)-N-[2,4-dichloro-6-(difluoromethyl)phenyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide.

Molecular Properties

Compound Name(5R,8S)-N-[2,4-dichloro-6-(difluoromethyl)phenyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
PubChem CID174109747
Molecular FormulaC17H13Cl2F3N2O2
Molecular Weight405.20 g/mol
Exact Mass404.03
IUPAC Name(5R,8S)-N-[2,4-dichloro-6-(difluoromethyl)phenyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
SMILESO=C(Nc1c(Cl)cc(Cl)cc1C(F)F)[C@@]1(F)CC[C@H](O)c2ncccc21
InChIInChI=1S/C17H13Cl2F3N2O2/c18-8-6-9(15(20)21)13(11(19)7-8)24-16(26)17(22)4-3-12(25)14-10(17)2-1-5-23-14/h1-2,5-7,12,15,25H,3-4H2,(H,24,26)/t12-,17+/m0/s1
InChIKeyHFEIJMAVPOSBKC-YVEFUNNKSA-N
XLogP4.96
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.20
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5R,8S)-N-[2,4-dichloro-6-(difluoromethyl)phenyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide with MolForge

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Related Compounds

(5S,8R)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
CID 142429452
N-[(4-chlorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
CID 156663787
(5S,8S)-N-[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
CID 135331645
(5R,8R)-N-[(4-chloro-2-fluorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
CID 142429405
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
N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
CID 156663783
N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
CID 156663784
N-[(2,4-dichloro-6-fluorophenyl)methyl]-5-fluoro-8-methoxy-7,8-dihydro-6H-quinoline-5-carboxamide
CID 156663855
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
(5S,8S)-N-[(2,4-difluorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
CID 135330653

Frequently Asked Questions

What is the IUPAC name of (5R,8S)-N-[2,4-dichloro-6-(difluoromethyl)phenyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide?
The IUPAC name of (5R,8S)-N-[2,4-dichloro-6-(difluoromethyl)phenyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide (CID 174109747) is (5R,8S)-N-[2,4-dichloro-6-(difluoromethyl)phenyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide.
What is the SMILES notation for (5R,8S)-N-[2,4-dichloro-6-(difluoromethyl)phenyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide?
The canonical SMILES for (5R,8S)-N-[2,4-dichloro-6-(difluoromethyl)phenyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide is O=C(Nc1c(Cl)cc(Cl)cc1C(F)F)[C@@]1(F)CC[C@H](O)c2ncccc21.
What is the InChIKey of (5R,8S)-N-[2,4-dichloro-6-(difluoromethyl)phenyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide?
The InChIKey is HFEIJMAVPOSBKC-YVEFUNNKSA-N. The full InChI is InChI=1S/C17H13Cl2F3N2O2/c18-8-6-9(15(20)21)13(11(19)7-8)24-16(26)17(22)4-3-12(25)14-10(17)2-1-5-23-14/h1-2,5-7,12,15,25H,3-4H2,(H,24,26)/t12-,17+/m0/s1.
What are the key properties of (5R,8S)-N-[2,4-dichloro-6-(difluoromethyl)phenyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide?
(5R,8S)-N-[2,4-dichloro-6-(difluoromethyl)phenyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide has a molecular weight of 405.20 g/mol, XLogP of 4.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,8S)-N-[2,4-dichloro-6-(difluoromethyl)phenyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide is sourced from PubChem (CID 174109747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).