(10R)-3-(4-fluorophenyl)-10-(2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione

C27H16FNO5 — CID 124917636

IUPAC(10R)-3-(4-fluorophenyl)-10-(2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
SMILESO=C1C[C@@H](c2cc3ccccc3[nH]c2=O)c2c(ccc3c(=O)c(-c4ccc(F)cc4)coc23)O1
InChIInChI=1S/C27H16FNO5/c28-16-7-5-14(6-8-16)20-13-33-26-17(25(20)31)9-10-22-24(26)18(12-23(30)34-22)19-11-15-3-1-2-4-21(15)29-27(19)32/h1-11,13,18H,12H2,(H,29,32)/t18-/m0/s1
InChIKeyKHANYFLSGOSDQI-SFHVURJKSA-N
MW453.43 g/mol
LogP4.88
Rot. Bonds2

About (10R)-3-(4-fluorophenyl)-10-(2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione

(10R)-3-(4-fluorophenyl)-10-(2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione (PubChem CID 124917636) has the molecular formula C27H16FNO5 and a molecular weight of 453.43 g/mol. Its IUPAC name is (10R)-3-(4-fluorophenyl)-10-(2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione.

Molecular Properties

Compound Name(10R)-3-(4-fluorophenyl)-10-(2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
PubChem CID124917636
Molecular FormulaC27H16FNO5
Molecular Weight453.43 g/mol
Exact Mass453.10
IUPAC Name(10R)-3-(4-fluorophenyl)-10-(2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
SMILESO=C1C[C@@H](c2cc3ccccc3[nH]c2=O)c2c(ccc3c(=O)c(-c4ccc(F)cc4)coc23)O1
InChIInChI=1S/C27H16FNO5/c28-16-7-5-14(6-8-16)20-13-33-26-17(25(20)31)9-10-22-24(26)18(12-23(30)34-22)19-11-15-3-1-2-4-21(15)29-27(19)32/h1-11,13,18H,12H2,(H,29,32)/t18-/m0/s1
InChIKeyKHANYFLSGOSDQI-SFHVURJKSA-N
XLogP4.88
TPSA89.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.43
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(10S)-3-(3,4-dimethoxyphenyl)-5-hydroxy-10-(2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 125122596
(10R)-5-hydroxy-3-(2-methoxyphenyl)-10-(2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 125429092
3-(4-fluorophenyl)-10-(4-hydroxy-3-methoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
CID 110207416
3-(4-hydroxyphenyl)-10-[1-(2-methylpropyl)-2-oxoquinolin-3-yl]-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
CID 75492565
(10R)-10-(4-oxochromen-3-yl)-3-phenyl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
CID 124879681
(10R)-5-hydroxy-3-(4-hydroxyphenyl)-10-(7-methyl-2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97424032
(10R)-3-(4-hydroxyphenyl)-10-(4-oxochromen-3-yl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
CID 97488656
(10S)-3-(4-hydroxyphenyl)-10-(4-oxochromen-3-yl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
CID 97488658
(10S)-5-hydroxy-3-(4-hydroxyphenyl)-10-(7-methoxy-2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97423819
(2Z,9R)-2-benzylidene-9-(2-oxo-1H-quinolin-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 125123081
2-[4-[(10R)-3-(4-fluorophenyl)-4,8-dioxo-9,10-dihydropyrano[2,3-f]chromen-10-yl]-2-methoxyphenoxy]acetic acid
CID 124879709
10-(2,4-difluorophenyl)-5-hydroxy-3-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 71825843

Frequently Asked Questions

What is the IUPAC name of (10R)-3-(4-fluorophenyl)-10-(2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione?
The IUPAC name of (10R)-3-(4-fluorophenyl)-10-(2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione (CID 124917636) is (10R)-3-(4-fluorophenyl)-10-(2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione.
What is the SMILES notation for (10R)-3-(4-fluorophenyl)-10-(2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione?
The canonical SMILES for (10R)-3-(4-fluorophenyl)-10-(2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione is O=C1C[C@@H](c2cc3ccccc3[nH]c2=O)c2c(ccc3c(=O)c(-c4ccc(F)cc4)coc23)O1.
What is the InChIKey of (10R)-3-(4-fluorophenyl)-10-(2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione?
The InChIKey is KHANYFLSGOSDQI-SFHVURJKSA-N. The full InChI is InChI=1S/C27H16FNO5/c28-16-7-5-14(6-8-16)20-13-33-26-17(25(20)31)9-10-22-24(26)18(12-23(30)34-22)19-11-15-3-1-2-4-21(15)29-27(19)32/h1-11,13,18H,12H2,(H,29,32)/t18-/m0/s1.
What are the key properties of (10R)-3-(4-fluorophenyl)-10-(2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione?
(10R)-3-(4-fluorophenyl)-10-(2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione has a molecular weight of 453.43 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-3-(4-fluorophenyl)-10-(2-oxo-1H-quinolin-3-yl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione is sourced from PubChem (CID 124917636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).