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

C17H16ClFN2O2 — CID 156663821

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide
SMILESO=C(NCc1ccc(F)cc1Cl)C1CCC(O)c2ncccc21
InChIInChI=1S/C17H16ClFN2O2/c18-14-8-11(19)4-3-10(14)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)
InChIKeyOQBAEYVGEWMETP-UHFFFAOYSA-N
MW334.78 g/mol
LogP3.10
Rot. Bonds3

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

N-[(2-chloro-4-fluorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide (PubChem CID 156663821) has the molecular formula C17H16ClFN2O2 and a molecular weight of 334.78 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide
PubChem CID156663821
Molecular FormulaC17H16ClFN2O2
Molecular Weight334.78 g/mol
Exact Mass334.09
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide
SMILESO=C(NCc1ccc(F)cc1Cl)C1CCC(O)c2ncccc21
InChIInChI=1S/C17H16ClFN2O2/c18-14-8-11(19)4-3-10(14)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)
InChIKeyOQBAEYVGEWMETP-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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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide (CID 156663821) is N-[(2-chloro-4-fluorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide is O=C(NCc1ccc(F)cc1Cl)C1CCC(O)c2ncccc21.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide?
The InChIKey is OQBAEYVGEWMETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O2/c18-14-8-11(19)4-3-10(14)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-[(2-chloro-4-fluorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide?
N-[(2-chloro-4-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-[(2-chloro-4-fluorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide is sourced from PubChem (CID 156663821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).