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

C17H16BrFN2O2 — CID 156663753

IUPACN-[(4-bromo-2-fluorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide
SMILESO=C(NCc1ccc(Br)cc1F)C1CCC(O)c2ncccc21
InChIInChI=1S/C17H16BrFN2O2/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)
InChIKeyFGPSMRMWCKOGPT-UHFFFAOYSA-N
MW379.23 g/mol
LogP3.21
Rot. Bonds3

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

N-[(4-bromo-2-fluorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide (PubChem CID 156663753) has the molecular formula C17H16BrFN2O2 and a molecular weight of 379.23 g/mol. Its IUPAC name is N-[(4-bromo-2-fluorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide.

Molecular Properties

Compound NameN-[(4-bromo-2-fluorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide
PubChem CID156663753
Molecular FormulaC17H16BrFN2O2
Molecular Weight379.23 g/mol
Exact Mass378.04
IUPAC NameN-[(4-bromo-2-fluorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide
SMILESO=C(NCc1ccc(Br)cc1F)C1CCC(O)c2ncccc21
InChIInChI=1S/C17H16BrFN2O2/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)
InChIKeyFGPSMRMWCKOGPT-UHFFFAOYSA-N
XLogP3.21
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.23
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chloro-2-fluorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide
CID 156663760
3-(4-bromo-2-fluorophenyl)-1-[(5R,8S)-8-hydroxy-5,6,7,8-tetrahydroquinolin-5-yl]propan-1-one
CID 159318532
N-[(2-chloro-4-fluorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide
CID 156663821
N-[(2,4-dichlorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide
CID 156663898
(5S,8S)-N-[(2,4-dichlorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide
CID 142429457
(5S)-N-[(2,4-dichloro-6-methylphenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide
CID 155433527
1-[(5S,8S)-8-hydroxy-5,6,7,8-tetrahydroquinolin-5-yl]-3-(2,3,4-trifluorophenyl)propan-1-one
CID 158660838
3-(2-chloro-4-fluorophenyl)-1-[(5S,8R)-8-hydroxy-5,6,7,8-tetrahydroquinolin-5-yl]propan-1-one
CID 161496659
(5S,8S)-N-[(2,4-difluorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
CID 135330653
(5R,8R)-N-[(4-chloro-2-fluorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
CID 142429405
2-fluoro-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide
CID 162458079
(5S,8S)-2-fluoro-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide
CID 162458083

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide?
The IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide (CID 156663753) is N-[(4-bromo-2-fluorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide.
What is the SMILES notation for N-[(4-bromo-2-fluorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide?
The canonical SMILES for N-[(4-bromo-2-fluorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide is O=C(NCc1ccc(Br)cc1F)C1CCC(O)c2ncccc21.
What is the InChIKey of N-[(4-bromo-2-fluorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide?
The InChIKey is FGPSMRMWCKOGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFN2O2/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-bromo-2-fluorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide?
N-[(4-bromo-2-fluorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide has a molecular weight of 379.23 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-fluorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide is sourced from PubChem (CID 156663753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).