2-amino-5-oxo-4-[2-(trifluoromethyl)phenyl]-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile

C20H12F3N3O2 — CID 3669301

IUPAC2-amino-5-oxo-4-[2-(trifluoromethyl)phenyl]-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile
SMILESN#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)C1c1ccccc1C(F)(F)F
InChIInChI=1S/C20H12F3N3O2/c21-20(22,23)13-7-3-1-5-10(13)15-12(9-24)18(25)28-17-11-6-2-4-8-14(11)26-19(27)16(15)17/h1-8,15H,25H2,(H,26,27)
InChIKeyYMBGFWITMIJRFA-UHFFFAOYSA-N
MW383.33 g/mol
LogP3.77
Rot. Bonds1

About 2-amino-5-oxo-4-[2-(trifluoromethyl)phenyl]-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile

2-amino-5-oxo-4-[2-(trifluoromethyl)phenyl]-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile (PubChem CID 3669301) has the molecular formula C20H12F3N3O2 and a molecular weight of 383.33 g/mol. Its IUPAC name is 2-amino-5-oxo-4-[2-(trifluoromethyl)phenyl]-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-oxo-4-[2-(trifluoromethyl)phenyl]-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile
PubChem CID3669301
Molecular FormulaC20H12F3N3O2
Molecular Weight383.33 g/mol
Exact Mass383.09
IUPAC Name2-amino-5-oxo-4-[2-(trifluoromethyl)phenyl]-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile
SMILESN#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)C1c1ccccc1C(F)(F)F
InChIInChI=1S/C20H12F3N3O2/c21-20(22,23)13-7-3-1-5-10(13)15-12(9-24)18(25)28-17-11-6-2-4-8-14(11)26-19(27)16(15)17/h1-8,15H,25H2,(H,26,27)
InChIKeyYMBGFWITMIJRFA-UHFFFAOYSA-N
XLogP3.77
TPSA91.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.33
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-oxo-4-[2-(trifluoromethyl)phenyl]-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile?
The IUPAC name of 2-amino-5-oxo-4-[2-(trifluoromethyl)phenyl]-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile (CID 3669301) is 2-amino-5-oxo-4-[2-(trifluoromethyl)phenyl]-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-5-oxo-4-[2-(trifluoromethyl)phenyl]-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile?
The canonical SMILES for 2-amino-5-oxo-4-[2-(trifluoromethyl)phenyl]-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile is N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)C1c1ccccc1C(F)(F)F.
What is the InChIKey of 2-amino-5-oxo-4-[2-(trifluoromethyl)phenyl]-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile?
The InChIKey is YMBGFWITMIJRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N3O2/c21-20(22,23)13-7-3-1-5-10(13)15-12(9-24)18(25)28-17-11-6-2-4-8-14(11)26-19(27)16(15)17/h1-8,15H,25H2,(H,26,27).
What are the key properties of 2-amino-5-oxo-4-[2-(trifluoromethyl)phenyl]-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile?
2-amino-5-oxo-4-[2-(trifluoromethyl)phenyl]-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile has a molecular weight of 383.33 g/mol, XLogP of 3.77, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-oxo-4-[2-(trifluoromethyl)phenyl]-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile is sourced from PubChem (CID 3669301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).