1-[4-[[(Z)-2-amino-2-phenylethenyl]amino]-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone

C20H20F3N3O — CID 166139308

IUPAC1-[4-[[(Z)-2-amino-2-phenylethenyl]amino]-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1CCC(N/C=C(\N)c2ccccc2)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C20H20F3N3O/c1-13(27)26-10-9-18(25-12-17(24)14-5-3-2-4-6-14)16-11-15(20(21,22)23)7-8-19(16)26/h2-8,11-12,18,25H,9-10,24H2,1H3/b17-12-
InChIKeyDHIAWFXHODLVPT-ATVHPVEESA-N
MW375.39 g/mol
LogP4.05
Rot. Bonds3

About 1-[4-[[(Z)-2-amino-2-phenylethenyl]amino]-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone

1-[4-[[(Z)-2-amino-2-phenylethenyl]amino]-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 166139308) has the molecular formula C20H20F3N3O and a molecular weight of 375.39 g/mol. Its IUPAC name is 1-[4-[[(Z)-2-amino-2-phenylethenyl]amino]-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[(Z)-2-amino-2-phenylethenyl]amino]-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID166139308
Molecular FormulaC20H20F3N3O
Molecular Weight375.39 g/mol
Exact Mass375.16
IUPAC Name1-[4-[[(Z)-2-amino-2-phenylethenyl]amino]-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1CCC(N/C=C(\N)c2ccccc2)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C20H20F3N3O/c1-13(27)26-10-9-18(25-12-17(24)14-5-3-2-4-6-14)16-11-15(20(21,22)23)7-8-19(16)26/h2-8,11-12,18,25H,9-10,24H2,1H3/b17-12-
InChIKeyDHIAWFXHODLVPT-ATVHPVEESA-N
XLogP4.05
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-[[(Z)-2-amino-2-phenylethenyl]amino]-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone with MolForge

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Related Compounds

4-(propylamino)-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid
CID 22735345
4-ethylsulfonyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid
CID 22735297
1-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
CID 73012338
[2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-phenylmethanone
CID 55731771
propan-2-yl 4-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 143173742
ethyl 4-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonylamino]-2-hydroxyethyl]-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 87839692
1-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 97226753
1-[(3S)-3-aminopyrrolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]but-2-en-1-one
CID 126776079
1-methyl-7-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepine-5-carboxylic acid
CID 82625986
tert-butyl 4-ethylsulfinyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 22735287
1-[3-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoxalin-1-yl]ethanone
CID 15526300
1-[4-[2-amino-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 99770504

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(Z)-2-amino-2-phenylethenyl]amino]-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[4-[[(Z)-2-amino-2-phenylethenyl]amino]-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 166139308) is 1-[4-[[(Z)-2-amino-2-phenylethenyl]amino]-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[(Z)-2-amino-2-phenylethenyl]amino]-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[(Z)-2-amino-2-phenylethenyl]amino]-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone is CC(=O)N1CCC(N/C=C(\N)c2ccccc2)c2cc(C(F)(F)F)ccc21.
What is the InChIKey of 1-[4-[[(Z)-2-amino-2-phenylethenyl]amino]-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is DHIAWFXHODLVPT-ATVHPVEESA-N. The full InChI is InChI=1S/C20H20F3N3O/c1-13(27)26-10-9-18(25-12-17(24)14-5-3-2-4-6-14)16-11-15(20(21,22)23)7-8-19(16)26/h2-8,11-12,18,25H,9-10,24H2,1H3/b17-12-.
What are the key properties of 1-[4-[[(Z)-2-amino-2-phenylethenyl]amino]-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[4-[[(Z)-2-amino-2-phenylethenyl]amino]-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 375.39 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(Z)-2-amino-2-phenylethenyl]amino]-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 166139308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).