N-(5-fluoro-2-methylphenyl)-2-(3-hydroxy-3,4-dihydro-2H-benzo[h]quinolin-1-yl)acetamide

C22H21FN2O2 — CID 42919697

IUPACN-(5-fluoro-2-methylphenyl)-2-(3-hydroxy-3,4-dihydro-2H-benzo[h]quinolin-1-yl)acetamide
SMILESCc1ccc(F)cc1NC(=O)CN1CC(O)Cc2ccc3ccccc3c21
InChIInChI=1S/C22H21FN2O2/c1-14-6-9-17(23)11-20(14)24-21(27)13-25-12-18(26)10-16-8-7-15-4-2-3-5-19(15)22(16)25/h2-9,11,18,26H,10,12-13H2,1H3,(H,24,27)
InChIKeyWJAHIBGDENEHAE-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.65
Rot. Bonds3

About N-(5-fluoro-2-methylphenyl)-2-(3-hydroxy-3,4-dihydro-2H-benzo[h]quinolin-1-yl)acetamide

N-(5-fluoro-2-methylphenyl)-2-(3-hydroxy-3,4-dihydro-2H-benzo[h]quinolin-1-yl)acetamide (PubChem CID 42919697) has the molecular formula C22H21FN2O2 and a molecular weight of 364.42 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-2-(3-hydroxy-3,4-dihydro-2H-benzo[h]quinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-2-(3-hydroxy-3,4-dihydro-2H-benzo[h]quinolin-1-yl)acetamide
PubChem CID42919697
Molecular FormulaC22H21FN2O2
Molecular Weight364.42 g/mol
Exact Mass364.16
IUPAC NameN-(5-fluoro-2-methylphenyl)-2-(3-hydroxy-3,4-dihydro-2H-benzo[h]quinolin-1-yl)acetamide
SMILESCc1ccc(F)cc1NC(=O)CN1CC(O)Cc2ccc3ccccc3c21
InChIInChI=1S/C22H21FN2O2/c1-14-6-9-17(23)11-20(14)24-21(27)13-25-12-18(26)10-16-8-7-15-4-2-3-5-19(15)22(16)25/h2-9,11,18,26H,10,12-13H2,1H3,(H,24,27)
InChIKeyWJAHIBGDENEHAE-UHFFFAOYSA-N
XLogP3.65
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-2-(3-hydroxy-3,4-dihydro-2H-benzo[h]quinolin-1-yl)acetamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-2-(3-hydroxy-3,4-dihydro-2H-benzo[h]quinolin-1-yl)acetamide (CID 42919697) is N-(5-fluoro-2-methylphenyl)-2-(3-hydroxy-3,4-dihydro-2H-benzo[h]quinolin-1-yl)acetamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-2-(3-hydroxy-3,4-dihydro-2H-benzo[h]quinolin-1-yl)acetamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-2-(3-hydroxy-3,4-dihydro-2H-benzo[h]quinolin-1-yl)acetamide is Cc1ccc(F)cc1NC(=O)CN1CC(O)Cc2ccc3ccccc3c21.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-2-(3-hydroxy-3,4-dihydro-2H-benzo[h]quinolin-1-yl)acetamide?
The InChIKey is WJAHIBGDENEHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O2/c1-14-6-9-17(23)11-20(14)24-21(27)13-25-12-18(26)10-16-8-7-15-4-2-3-5-19(15)22(16)25/h2-9,11,18,26H,10,12-13H2,1H3,(H,24,27).
What are the key properties of N-(5-fluoro-2-methylphenyl)-2-(3-hydroxy-3,4-dihydro-2H-benzo[h]quinolin-1-yl)acetamide?
N-(5-fluoro-2-methylphenyl)-2-(3-hydroxy-3,4-dihydro-2H-benzo[h]quinolin-1-yl)acetamide has a molecular weight of 364.42 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-2-(3-hydroxy-3,4-dihydro-2H-benzo[h]quinolin-1-yl)acetamide is sourced from PubChem (CID 42919697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).