N-[(4-chloro-2-fluorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide

C17H16ClFN2O2 — CID 156663760

IUPACN-[(4-chloro-2-fluorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1F)C1CCC(O)c2ncccc21
InChIInChI=1S/C17H16ClFN2O2/c18-11-4-3-10(14(19)8-11)9-21-17(23)13-5-6-15(22)16-12(13)2-1-7-20-16/h1-4,7-8,13,15,22H,5-6,9H2,(H,21,23)
InChIKeyVIPPGWXFFXZVEL-UHFFFAOYSA-N
MW334.78 g/mol
LogP3.10
Rot. Bonds3

About N-[(4-chloro-2-fluorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide

N-[(4-chloro-2-fluorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide (PubChem CID 156663760) has the molecular formula C17H16ClFN2O2 and a molecular weight of 334.78 g/mol. Its IUPAC name is N-[(4-chloro-2-fluorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide.

Molecular Properties

Compound NameN-[(4-chloro-2-fluorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide
PubChem CID156663760
Molecular FormulaC17H16ClFN2O2
Molecular Weight334.78 g/mol
Exact Mass334.09
IUPAC NameN-[(4-chloro-2-fluorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1F)C1CCC(O)c2ncccc21
InChIInChI=1S/C17H16ClFN2O2/c18-11-4-3-10(14(19)8-11)9-21-17(23)13-5-6-15(22)16-12(13)2-1-7-20-16/h1-4,7-8,13,15,22H,5-6,9H2,(H,21,23)
InChIKeyVIPPGWXFFXZVEL-UHFFFAOYSA-N
XLogP3.10
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5S,8S)-N-[(2,4-dichlorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide
CID 142429457
N-[(2,4-dichlorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide
CID 156663898
N-[(4-bromo-2-fluorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide
CID 156663753
N-[(2-chloro-4-fluorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide
CID 156663821
(5S)-N-[(2,4-dichloro-6-methylphenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide
CID 155433527
(5R,8R)-N-[(4-chloro-2-fluorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
CID 142429405
1-[(5S,8R)-8-hydroxy-5,6,7,8-tetrahydroquinolin-5-yl]-3-(2,3,4-trifluorophenyl)propan-1-one
CID 158660839
3-(2-chloro-4-fluorophenyl)-1-[(5S,8R)-8-hydroxy-5,6,7,8-tetrahydroquinolin-5-yl]propan-1-one
CID 161496659
3-(4-bromo-2-fluorophenyl)-1-[(5R,8S)-8-hydroxy-5,6,7,8-tetrahydroquinolin-5-yl]propan-1-one
CID 159318532
1-[(4-chloro-2-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 100684761
8-oxo-N-[(2,3,4-trifluorophenyl)methyl]-6,7-dihydro-5H-quinoline-5-carboxamide
CID 155433544
3-(4-chloro-2-fluorophenyl)-1-[(5R,8R)-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinolin-5-yl]propan-1-one
CID 162075346

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-fluorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide?
The IUPAC name of N-[(4-chloro-2-fluorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide (CID 156663760) is N-[(4-chloro-2-fluorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide.
What is the SMILES notation for N-[(4-chloro-2-fluorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide?
The canonical SMILES for N-[(4-chloro-2-fluorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide is O=C(NCc1ccc(Cl)cc1F)C1CCC(O)c2ncccc21.
What is the InChIKey of N-[(4-chloro-2-fluorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide?
The InChIKey is VIPPGWXFFXZVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O2/c18-11-4-3-10(14(19)8-11)9-21-17(23)13-5-6-15(22)16-12(13)2-1-7-20-16/h1-4,7-8,13,15,22H,5-6,9H2,(H,21,23).
What are the key properties of N-[(4-chloro-2-fluorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide?
N-[(4-chloro-2-fluorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide has a molecular weight of 334.78 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-fluorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide is sourced from PubChem (CID 156663760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).