(2E)-N-quinolin-7-yl-2-[7-(trifluoromethyl)-2,3-dihydrochromen-4-ylidene]acetamide

C21H15F3N2O2 — CID 15979864

IUPAC(2E)-N-quinolin-7-yl-2-[7-(trifluoromethyl)-2,3-dihydrochromen-4-ylidene]acetamide
SMILESO=C(/C=C1\CCOc2cc(C(F)(F)F)ccc21)Nc1ccc2cccnc2c1
InChIInChI=1S/C21H15F3N2O2/c22-21(23,24)15-4-6-17-14(7-9-28-19(17)11-15)10-20(27)26-16-5-3-13-2-1-8-25-18(13)12-16/h1-6,8,10-12H,7,9H2,(H,26,27)/b14-10+
InChIKeyPXPVNWQHDYVYCA-GXDHUFHOSA-N
MW384.36 g/mol
LogP5.06
Rot. Bonds2

About (2E)-N-quinolin-7-yl-2-[7-(trifluoromethyl)-2,3-dihydrochromen-4-ylidene]acetamide

(2E)-N-quinolin-7-yl-2-[7-(trifluoromethyl)-2,3-dihydrochromen-4-ylidene]acetamide (PubChem CID 15979864) has the molecular formula C21H15F3N2O2 and a molecular weight of 384.36 g/mol. Its IUPAC name is (2E)-N-quinolin-7-yl-2-[7-(trifluoromethyl)-2,3-dihydrochromen-4-ylidene]acetamide.

Molecular Properties

Compound Name(2E)-N-quinolin-7-yl-2-[7-(trifluoromethyl)-2,3-dihydrochromen-4-ylidene]acetamide
PubChem CID15979864
Molecular FormulaC21H15F3N2O2
Molecular Weight384.36 g/mol
Exact Mass384.11
IUPAC Name(2E)-N-quinolin-7-yl-2-[7-(trifluoromethyl)-2,3-dihydrochromen-4-ylidene]acetamide
SMILESO=C(/C=C1\CCOc2cc(C(F)(F)F)ccc21)Nc1ccc2cccnc2c1
InChIInChI=1S/C21H15F3N2O2/c22-21(23,24)15-4-6-17-14(7-9-28-19(17)11-15)10-20(27)26-16-5-3-13-2-1-8-25-18(13)12-16/h1-6,8,10-12H,7,9H2,(H,26,27)/b14-10+
InChIKeyPXPVNWQHDYVYCA-GXDHUFHOSA-N
XLogP5.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.36
LogP ≤ 55.06
H-Bond Donors ≤ 51
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 (2E)-N-quinolin-7-yl-2-[7-(trifluoromethyl)-2,3-dihydrochromen-4-ylidene]acetamide?
The IUPAC name of (2E)-N-quinolin-7-yl-2-[7-(trifluoromethyl)-2,3-dihydrochromen-4-ylidene]acetamide (CID 15979864) is (2E)-N-quinolin-7-yl-2-[7-(trifluoromethyl)-2,3-dihydrochromen-4-ylidene]acetamide.
What is the SMILES notation for (2E)-N-quinolin-7-yl-2-[7-(trifluoromethyl)-2,3-dihydrochromen-4-ylidene]acetamide?
The canonical SMILES for (2E)-N-quinolin-7-yl-2-[7-(trifluoromethyl)-2,3-dihydrochromen-4-ylidene]acetamide is O=C(/C=C1\CCOc2cc(C(F)(F)F)ccc21)Nc1ccc2cccnc2c1.
What is the InChIKey of (2E)-N-quinolin-7-yl-2-[7-(trifluoromethyl)-2,3-dihydrochromen-4-ylidene]acetamide?
The InChIKey is PXPVNWQHDYVYCA-GXDHUFHOSA-N. The full InChI is InChI=1S/C21H15F3N2O2/c22-21(23,24)15-4-6-17-14(7-9-28-19(17)11-15)10-20(27)26-16-5-3-13-2-1-8-25-18(13)12-16/h1-6,8,10-12H,7,9H2,(H,26,27)/b14-10+.
What are the key properties of (2E)-N-quinolin-7-yl-2-[7-(trifluoromethyl)-2,3-dihydrochromen-4-ylidene]acetamide?
(2E)-N-quinolin-7-yl-2-[7-(trifluoromethyl)-2,3-dihydrochromen-4-ylidene]acetamide has a molecular weight of 384.36 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-quinolin-7-yl-2-[7-(trifluoromethyl)-2,3-dihydrochromen-4-ylidene]acetamide is sourced from PubChem (CID 15979864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).