(4R)-4-[3-(trifluoromethyl)phenyl]-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione

C19H12F3NO3 — CID 7220904

IUPAC(4R)-4-[3-(trifluoromethyl)phenyl]-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione
SMILESO=C1C[C@H](c2cccc(C(F)(F)F)c2)c2c(c3ccccc3[nH]c2=O)O1
InChIInChI=1S/C19H12F3NO3/c20-19(21,22)11-5-3-4-10(8-11)13-9-15(24)26-17-12-6-1-2-7-14(12)23-18(25)16(13)17/h1-8,13H,9H2,(H,23,25)/t13-/m1/s1
InChIKeyZCABUBNIKIYZLH-CYBMUJFWSA-N
MW359.30 g/mol
LogP3.99
Rot. Bonds1

About (4R)-4-[3-(trifluoromethyl)phenyl]-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione

(4R)-4-[3-(trifluoromethyl)phenyl]-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione (PubChem CID 7220904) has the molecular formula C19H12F3NO3 and a molecular weight of 359.30 g/mol. Its IUPAC name is (4R)-4-[3-(trifluoromethyl)phenyl]-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione.

Molecular Properties

Compound Name(4R)-4-[3-(trifluoromethyl)phenyl]-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione
PubChem CID7220904
Molecular FormulaC19H12F3NO3
Molecular Weight359.30 g/mol
Exact Mass359.08
IUPAC Name(4R)-4-[3-(trifluoromethyl)phenyl]-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione
SMILESO=C1C[C@H](c2cccc(C(F)(F)F)c2)c2c(c3ccccc3[nH]c2=O)O1
InChIInChI=1S/C19H12F3NO3/c20-19(21,22)11-5-3-4-10(8-11)13-9-15(24)26-17-12-6-1-2-7-14(12)23-18(25)16(13)17/h1-8,13H,9H2,(H,23,25)/t13-/m1/s1
InChIKeyZCABUBNIKIYZLH-CYBMUJFWSA-N
XLogP3.99
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R)-4-[3-(trifluoromethyl)phenyl]-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione with MolForge

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Related Compounds

(4S)-4-[2-(trifluoromethyl)phenyl]-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione
CID 7220900
(4R)-4-thiophen-3-yl-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione
CID 7220907
(4S)-4-(2-methylphenyl)-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione
CID 7426431
4-cyclopropyl-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione
CID 6324683
(4S)-4-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione
CID 51688966
1-(4-methylphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]-4,9-dihydro-3H-thiazino[3,4-b]indole 2,2-dioxide
CID 168878079
2-[3-(trifluoromethyl)phenyl]-2,3-dihydrochromen-4-one
CID 114671510
(4R)-4-[3-(trifluoromethyl)phenyl]oxolan-2-one
CID 71698017
(4R)-4-(3-hydroxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 99992771
4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-benzo[h]quinoline-2,5,6-trione
CID 162662052
(5S)-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 97000628
5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-2,4-dione
CID 13092013

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-(trifluoromethyl)phenyl]-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione?
The IUPAC name of (4R)-4-[3-(trifluoromethyl)phenyl]-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione (CID 7220904) is (4R)-4-[3-(trifluoromethyl)phenyl]-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione.
What is the SMILES notation for (4R)-4-[3-(trifluoromethyl)phenyl]-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione?
The canonical SMILES for (4R)-4-[3-(trifluoromethyl)phenyl]-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione is O=C1C[C@H](c2cccc(C(F)(F)F)c2)c2c(c3ccccc3[nH]c2=O)O1.
What is the InChIKey of (4R)-4-[3-(trifluoromethyl)phenyl]-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione?
The InChIKey is ZCABUBNIKIYZLH-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H12F3NO3/c20-19(21,22)11-5-3-4-10(8-11)13-9-15(24)26-17-12-6-1-2-7-14(12)23-18(25)16(13)17/h1-8,13H,9H2,(H,23,25)/t13-/m1/s1.
What are the key properties of (4R)-4-[3-(trifluoromethyl)phenyl]-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione?
(4R)-4-[3-(trifluoromethyl)phenyl]-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione has a molecular weight of 359.30 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[3-(trifluoromethyl)phenyl]-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione is sourced from PubChem (CID 7220904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).