N-quinolin-7-yl-2-[7-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-ylidene]acetamide

C21H16F3N3O — CID 67039113

IUPACN-quinolin-7-yl-2-[7-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-ylidene]acetamide
SMILESO=C(C=C1CCNc2cc(C(F)(F)F)ccc21)Nc1ccc2cccnc2c1
InChIInChI=1S/C21H16F3N3O/c22-21(23,24)15-4-6-17-14(7-9-26-19(17)11-15)10-20(28)27-16-5-3-13-2-1-8-25-18(13)12-16/h1-6,8,10-12,26H,7,9H2,(H,27,28)
InChIKeyLRPGKBLCPCGRMH-UHFFFAOYSA-N
MW383.37 g/mol
LogP5.09
Rot. Bonds2

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

N-quinolin-7-yl-2-[7-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-ylidene]acetamide (PubChem CID 67039113) has the molecular formula C21H16F3N3O and a molecular weight of 383.37 g/mol. Its IUPAC name is N-quinolin-7-yl-2-[7-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-ylidene]acetamide.

Molecular Properties

Compound NameN-quinolin-7-yl-2-[7-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-ylidene]acetamide
PubChem CID67039113
Molecular FormulaC21H16F3N3O
Molecular Weight383.37 g/mol
Exact Mass383.12
IUPAC NameN-quinolin-7-yl-2-[7-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-ylidene]acetamide
SMILESO=C(C=C1CCNc2cc(C(F)(F)F)ccc21)Nc1ccc2cccnc2c1
InChIInChI=1S/C21H16F3N3O/c22-21(23,24)15-4-6-17-14(7-9-26-19(17)11-15)10-20(28)27-16-5-3-13-2-1-8-25-18(13)12-16/h1-6,8,10-12,26H,7,9H2,(H,27,28)
InChIKeyLRPGKBLCPCGRMH-UHFFFAOYSA-N
XLogP5.09
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.37
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2E)-N-quinolin-7-yl-2-[8-(trifluoromethyl)-1,2,3,4-tetrahydro-1-benzazepin-5-ylidene]acetamide
CID 58256072
2-[1-(pyridine-3-carbonyl)-7-(trifluoromethyl)-2,3-dihydroquinolin-4-ylidene]-N-quinolin-7-ylacetamide
CID 67039084
(2E)-2-[1-pentanoyl-7-(trifluoromethyl)-2,3-dihydroquinolin-4-ylidene]-N-quinolin-7-ylacetamide
CID 58255903
2-[1-(4-methylphenyl)sulfonyl-7-(trifluoromethyl)-2,3-dihydroquinolin-4-ylidene]-N-quinolin-7-ylacetamide
CID 67038625
N-quinolin-7-yl-5,5-bis[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
CID 74423812
N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-[7-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-ylidene]acetamide
CID 67039572
N-(1,2,3,4-tetrahydroquinolin-7-yl)-2-[8-(trifluoromethyl)-3,4-dihydro-2H-1-benzoxepin-5-ylidene]acetamide
CID 67038962
(2,5-dioxopyrrolidin-1-yl) N-quinolin-7-ylcarbamate
CID 121232305
ethane;N-quinolin-7-ylpentanamide
CID 156648097
N-(3-methoxyphenyl)-2-[8-(trifluoromethyl)-3,4-dihydro-2H-1-benzoxepin-5-ylidene]acetamide
CID 67039353
N-(2-oxo-3-propan-2-yl-1,4-dihydroquinazolin-7-yl)-2-[8-(trifluoromethyl)-3,4-dihydro-2H-1-benzoxepin-5-ylidene]acetamide
CID 72541098
(2E)-N-(2-oxo-3-propan-2-yl-1,4-dihydroquinazolin-7-yl)-2-[8-(trifluoromethyl)-3,4-dihydro-2H-1-benzoxepin-5-ylidene]acetamide
CID 59150037

Frequently Asked Questions

What is the IUPAC name of N-quinolin-7-yl-2-[7-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-ylidene]acetamide?
The IUPAC name of N-quinolin-7-yl-2-[7-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-ylidene]acetamide (CID 67039113) is N-quinolin-7-yl-2-[7-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-ylidene]acetamide.
What is the SMILES notation for N-quinolin-7-yl-2-[7-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-ylidene]acetamide?
The canonical SMILES for N-quinolin-7-yl-2-[7-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-ylidene]acetamide is O=C(C=C1CCNc2cc(C(F)(F)F)ccc21)Nc1ccc2cccnc2c1.
What is the InChIKey of N-quinolin-7-yl-2-[7-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-ylidene]acetamide?
The InChIKey is LRPGKBLCPCGRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O/c22-21(23,24)15-4-6-17-14(7-9-26-19(17)11-15)10-20(28)27-16-5-3-13-2-1-8-25-18(13)12-16/h1-6,8,10-12,26H,7,9H2,(H,27,28).
What are the key properties of N-quinolin-7-yl-2-[7-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-ylidene]acetamide?
N-quinolin-7-yl-2-[7-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-ylidene]acetamide has a molecular weight of 383.37 g/mol, XLogP of 5.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-7-yl-2-[7-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-ylidene]acetamide is sourced from PubChem (CID 67039113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).