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

C19H12F3NO3 — CID 7220900

IUPAC(4S)-4-[2-(trifluoromethyl)phenyl]-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione
SMILESO=C1C[C@@H](c2ccccc2C(F)(F)F)c2c(c3ccccc3[nH]c2=O)O1
InChIInChI=1S/C19H12F3NO3/c20-19(21,22)13-7-3-1-5-10(13)12-9-15(24)26-17-11-6-2-4-8-14(11)23-18(25)16(12)17/h1-8,12H,9H2,(H,23,25)/t12-/m0/s1
InChIKeyMZXRJGYKPWCXOS-LBPRGKRZSA-N
MW359.30 g/mol
LogP3.99
Rot. Bonds1

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

(4S)-4-[2-(trifluoromethyl)phenyl]-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione (PubChem CID 7220900) has the molecular formula C19H12F3NO3 and a molecular weight of 359.30 g/mol. Its IUPAC name is (4S)-4-[2-(trifluoromethyl)phenyl]-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione.

Molecular Properties

Compound Name(4S)-4-[2-(trifluoromethyl)phenyl]-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione
PubChem CID7220900
Molecular FormulaC19H12F3NO3
Molecular Weight359.30 g/mol
Exact Mass359.08
IUPAC Name(4S)-4-[2-(trifluoromethyl)phenyl]-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione
SMILESO=C1C[C@@H](c2ccccc2C(F)(F)F)c2c(c3ccccc3[nH]c2=O)O1
InChIInChI=1S/C19H12F3NO3/c20-19(21,22)13-7-3-1-5-10(13)12-9-15(24)26-17-11-6-2-4-8-14(11)23-18(25)16(12)17/h1-8,12H,9H2,(H,23,25)/t12-/m0/s1
InChIKeyMZXRJGYKPWCXOS-LBPRGKRZSA-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

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[2-(trifluoromethyl)phenyl]-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione?
The IUPAC name of (4S)-4-[2-(trifluoromethyl)phenyl]-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione (CID 7220900) is (4S)-4-[2-(trifluoromethyl)phenyl]-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione.
What is the SMILES notation for (4S)-4-[2-(trifluoromethyl)phenyl]-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione?
The canonical SMILES for (4S)-4-[2-(trifluoromethyl)phenyl]-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione is O=C1C[C@@H](c2ccccc2C(F)(F)F)c2c(c3ccccc3[nH]c2=O)O1.
What is the InChIKey of (4S)-4-[2-(trifluoromethyl)phenyl]-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione?
The InChIKey is MZXRJGYKPWCXOS-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H12F3NO3/c20-19(21,22)13-7-3-1-5-10(13)12-9-15(24)26-17-11-6-2-4-8-14(11)23-18(25)16(12)17/h1-8,12H,9H2,(H,23,25)/t12-/m0/s1.
What are the key properties of (4S)-4-[2-(trifluoromethyl)phenyl]-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione?
(4S)-4-[2-(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 (4S)-4-[2-(trifluoromethyl)phenyl]-4,6-dihydro-3H-pyrano[3,2-c]quinoline-2,5-dione is sourced from PubChem (CID 7220900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).