N-(6-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide

C20H19F3N2O3 — CID 87544312

IUPACN-(6-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
SMILESCc1cc(/C=C/C(F)(F)F)ccc1C(=O)Nc1cc2c([nH]c1=O)CCC(O)C2
InChIInChI=1S/C20H19F3N2O3/c1-11-8-12(6-7-20(21,22)23)2-4-15(11)18(27)25-17-10-13-9-14(26)3-5-16(13)24-19(17)28/h2,4,6-8,10,14,26H,3,5,9H2,1H3,(H,24,28)(H,25,27)/b7-6+
InChIKeyIHXBCODQHZTFMV-VOTSOKGWSA-N
MW392.38 g/mol
LogP3.36
Rot. Bonds3

About N-(6-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide

N-(6-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide (PubChem CID 87544312) has the molecular formula C20H19F3N2O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is N-(6-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide.

Molecular Properties

Compound NameN-(6-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
PubChem CID87544312
Molecular FormulaC20H19F3N2O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC NameN-(6-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
SMILESCc1cc(/C=C/C(F)(F)F)ccc1C(=O)Nc1cc2c([nH]c1=O)CCC(O)C2
InChIInChI=1S/C20H19F3N2O3/c1-11-8-12(6-7-20(21,22)23)2-4-15(11)18(27)25-17-10-13-9-14(26)3-5-16(13)24-19(17)28/h2,4,6-8,10,14,26H,3,5,9H2,1H3,(H,24,28)(H,25,27)/b7-6+
InChIKeyIHXBCODQHZTFMV-VOTSOKGWSA-N
XLogP3.36
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(6-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide with MolForge

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Related Compounds

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N-(7-amino-1,8-naphthyridin-2-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
CID 143533156
N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
CID 24803231
2-methyl-N-quinolin-8-yl-4-(3,3,3-trifluoroprop-1-enyl)benzamide
CID 68704218
N-(1-acetyl-2,3-dihydroindol-6-yl)-2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide
CID 68701762
methyl 2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzoate
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2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide
CID 74319750
2-methyl-N-(3-methylisoquinolin-5-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
CID 11854407
N-[(3S)-3-ethyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
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2-methyl-N-(1,5-naphthyridin-3-yl)-4-(3,3,3-trifluoroprop-1-enyl)benzamide
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(6R)-N-(3,4-difluorophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide?
The IUPAC name of N-(6-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide (CID 87544312) is N-(6-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide.
What is the SMILES notation for N-(6-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide?
The canonical SMILES for N-(6-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide is Cc1cc(/C=C/C(F)(F)F)ccc1C(=O)Nc1cc2c([nH]c1=O)CCC(O)C2.
What is the InChIKey of N-(6-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide?
The InChIKey is IHXBCODQHZTFMV-VOTSOKGWSA-N. The full InChI is InChI=1S/C20H19F3N2O3/c1-11-8-12(6-7-20(21,22)23)2-4-15(11)18(27)25-17-10-13-9-14(26)3-5-16(13)24-19(17)28/h2,4,6-8,10,14,26H,3,5,9H2,1H3,(H,24,28)(H,25,27)/b7-6+.
What are the key properties of N-(6-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide?
N-(6-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide has a molecular weight of 392.38 g/mol, XLogP of 3.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide is sourced from PubChem (CID 87544312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).