(5R,8R)-N-[(4-chloro-2-fluorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide

C17H15ClF2N2O2 — CID 142429405

IUPAC(5R,8R)-N-[(4-chloro-2-fluorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1F)[C@@]1(F)CC[C@@H](O)c2ncccc21
InChIInChI=1S/C17H15ClF2N2O2/c18-11-4-3-10(13(19)8-11)9-22-16(24)17(20)6-5-14(23)15-12(17)2-1-7-21-15/h1-4,7-8,14,23H,5-6,9H2,(H,22,24)/t14-,17-/m1/s1
InChIKeyQFYPTDZYQUZYSY-RHSMWYFYSA-N
MW352.77 g/mol
LogP3.18
Rot. Bonds3

About (5R,8R)-N-[(4-chloro-2-fluorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide

(5R,8R)-N-[(4-chloro-2-fluorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide (PubChem CID 142429405) has the molecular formula C17H15ClF2N2O2 and a molecular weight of 352.77 g/mol. Its IUPAC name is (5R,8R)-N-[(4-chloro-2-fluorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide.

Molecular Properties

Compound Name(5R,8R)-N-[(4-chloro-2-fluorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
PubChem CID142429405
Molecular FormulaC17H15ClF2N2O2
Molecular Weight352.77 g/mol
Exact Mass352.08
IUPAC Name(5R,8R)-N-[(4-chloro-2-fluorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1F)[C@@]1(F)CC[C@@H](O)c2ncccc21
InChIInChI=1S/C17H15ClF2N2O2/c18-11-4-3-10(13(19)8-11)9-22-16(24)17(20)6-5-14(23)15-12(17)2-1-7-21-15/h1-4,7-8,14,23H,5-6,9H2,(H,22,24)/t14-,17-/m1/s1
InChIKeyQFYPTDZYQUZYSY-RHSMWYFYSA-N
XLogP3.18
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.77
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5R,8R)-N-[(4-chloro-2-fluorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S,8S)-N-[(2,4-difluorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
CID 135330653
N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
CID 156663783
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
N-[(2-chloro-4-methylphenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
CID 156663756
N-[(4-chloro-3-fluorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
CID 156663825
3-(4-chloro-2-fluorophenyl)-1-[(5R,8R)-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinolin-5-yl]propan-1-one
CID 162075346
(5S)-N-[(4-chloro-2-fluorophenyl)methyl]-5-fluoro-8-oxo-6,7-dihydroquinoline-5-carboxamide
CID 151010120
N-[(2,4-dichlorophenyl)methyl]-5-fluoro-8-methylsulfanyl-7,8-dihydro-6H-quinoline-5-carboxamide
CID 156663781
N-[(2,4-dichloro-6-fluorophenyl)methyl]-5-fluoro-8-methoxy-7,8-dihydro-6H-quinoline-5-carboxamide
CID 156663855
N-[(4-chloro-2-fluorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide
CID 156663760
N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
CID 156663784

Frequently Asked Questions

What is the IUPAC name of (5R,8R)-N-[(4-chloro-2-fluorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide?
The IUPAC name of (5R,8R)-N-[(4-chloro-2-fluorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide (CID 142429405) is (5R,8R)-N-[(4-chloro-2-fluorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide.
What is the SMILES notation for (5R,8R)-N-[(4-chloro-2-fluorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide?
The canonical SMILES for (5R,8R)-N-[(4-chloro-2-fluorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide is O=C(NCc1ccc(Cl)cc1F)[C@@]1(F)CC[C@@H](O)c2ncccc21.
What is the InChIKey of (5R,8R)-N-[(4-chloro-2-fluorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide?
The InChIKey is QFYPTDZYQUZYSY-RHSMWYFYSA-N. The full InChI is InChI=1S/C17H15ClF2N2O2/c18-11-4-3-10(13(19)8-11)9-22-16(24)17(20)6-5-14(23)15-12(17)2-1-7-21-15/h1-4,7-8,14,23H,5-6,9H2,(H,22,24)/t14-,17-/m1/s1.
What are the key properties of (5R,8R)-N-[(4-chloro-2-fluorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide?
(5R,8R)-N-[(4-chloro-2-fluorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide has a molecular weight of 352.77 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,8R)-N-[(4-chloro-2-fluorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide is sourced from PubChem (CID 142429405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).