N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-[7-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-ylidene]acetamide

C22H21F3N2O2 — CID 67039572

IUPACN-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-[7-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-ylidene]acetamide
SMILESO=C(C=C1CCNc2cc(C(F)(F)F)ccc21)Nc1cccc2c1CC(O)CC2
InChIInChI=1S/C22H21F3N2O2/c23-22(24,25)15-5-7-17-14(8-9-26-20(17)11-15)10-21(29)27-19-3-1-2-13-4-6-16(28)12-18(13)19/h1-3,5,7,10-11,16,26,28H,4,6,8-9,12H2,(H,27,29)
InChIKeyCYEXQQNWXYBFRM-UHFFFAOYSA-N
MW402.42 g/mol
LogP4.39
Rot. Bonds2

About N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-[7-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-ylidene]acetamide

N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-[7-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-ylidene]acetamide (PubChem CID 67039572) has the molecular formula C22H21F3N2O2 and a molecular weight of 402.42 g/mol. Its IUPAC name is N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-[7-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-ylidene]acetamide.

Molecular Properties

Compound NameN-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-[7-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-ylidene]acetamide
PubChem CID67039572
Molecular FormulaC22H21F3N2O2
Molecular Weight402.42 g/mol
Exact Mass402.16
IUPAC NameN-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-[7-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-ylidene]acetamide
SMILESO=C(C=C1CCNc2cc(C(F)(F)F)ccc21)Nc1cccc2c1CC(O)CC2
InChIInChI=1S/C22H21F3N2O2/c23-22(24,25)15-5-7-17-14(8-9-26-20(17)11-15)10-21(29)27-19-3-1-2-13-4-6-16(28)12-18(13)19/h1-3,5,7,10-11,16,26,28H,4,6,8-9,12H2,(H,27,29)
InChIKeyCYEXQQNWXYBFRM-UHFFFAOYSA-N
XLogP4.39
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.42
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-[7-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-ylidene]acetamide?
The IUPAC name of N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-[7-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-ylidene]acetamide (CID 67039572) is N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-[7-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-ylidene]acetamide.
What is the SMILES notation for N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-[7-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-ylidene]acetamide?
The canonical SMILES for N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-[7-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-ylidene]acetamide is O=C(C=C1CCNc2cc(C(F)(F)F)ccc21)Nc1cccc2c1CC(O)CC2.
What is the InChIKey of N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-[7-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-ylidene]acetamide?
The InChIKey is CYEXQQNWXYBFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N2O2/c23-22(24,25)15-5-7-17-14(8-9-26-20(17)11-15)10-21(29)27-19-3-1-2-13-4-6-16(28)12-18(13)19/h1-3,5,7,10-11,16,26,28H,4,6,8-9,12H2,(H,27,29).
What are the key properties of N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-[7-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-ylidene]acetamide?
N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-[7-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-ylidene]acetamide has a molecular weight of 402.42 g/mol, XLogP of 4.39, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-[7-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-ylidene]acetamide is sourced from PubChem (CID 67039572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).