(10S)-5,6-dihydroxy-2-phenyl-10-quinolin-8-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

C27H17NO6 — CID 97424594

IUPAC(10S)-5,6-dihydroxy-2-phenyl-10-quinolin-8-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESO=C1C[C@@H](c2cccc3cccnc23)c2c(c(O)c(O)c3c(=O)cc(-c4ccccc4)oc23)O1
InChIInChI=1S/C27H17NO6/c29-18-13-19(14-6-2-1-3-7-14)33-26-21-17(16-10-4-8-15-9-5-11-28-23(15)16)12-20(30)34-27(21)25(32)24(31)22(18)26/h1-11,13,17,31-32H,12H2/t17-/m0/s1
InChIKeyPXUGWAPUWKNQHT-KRWDZBQOSA-N
MW451.43 g/mol
LogP4.86
Rot. Bonds2

About (10S)-5,6-dihydroxy-2-phenyl-10-quinolin-8-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

(10S)-5,6-dihydroxy-2-phenyl-10-quinolin-8-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (PubChem CID 97424594) has the molecular formula C27H17NO6 and a molecular weight of 451.43 g/mol. Its IUPAC name is (10S)-5,6-dihydroxy-2-phenyl-10-quinolin-8-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

Molecular Properties

Compound Name(10S)-5,6-dihydroxy-2-phenyl-10-quinolin-8-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
PubChem CID97424594
Molecular FormulaC27H17NO6
Molecular Weight451.43 g/mol
Exact Mass451.11
IUPAC Name(10S)-5,6-dihydroxy-2-phenyl-10-quinolin-8-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESO=C1C[C@@H](c2cccc3cccnc23)c2c(c(O)c(O)c3c(=O)cc(-c4ccccc4)oc23)O1
InChIInChI=1S/C27H17NO6/c29-18-13-19(14-6-2-1-3-7-14)33-26-21-17(16-10-4-8-15-9-5-11-28-23(15)16)12-20(30)34-27(21)25(32)24(31)22(18)26/h1-11,13,17,31-32H,12H2/t17-/m0/s1
InChIKeyPXUGWAPUWKNQHT-KRWDZBQOSA-N
XLogP4.86
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.43
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (10S)-5,6-dihydroxy-2-phenyl-10-quinolin-8-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The IUPAC name of (10S)-5,6-dihydroxy-2-phenyl-10-quinolin-8-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (CID 97424594) is (10S)-5,6-dihydroxy-2-phenyl-10-quinolin-8-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.
What is the SMILES notation for (10S)-5,6-dihydroxy-2-phenyl-10-quinolin-8-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The canonical SMILES for (10S)-5,6-dihydroxy-2-phenyl-10-quinolin-8-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is O=C1C[C@@H](c2cccc3cccnc23)c2c(c(O)c(O)c3c(=O)cc(-c4ccccc4)oc23)O1.
What is the InChIKey of (10S)-5,6-dihydroxy-2-phenyl-10-quinolin-8-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The InChIKey is PXUGWAPUWKNQHT-KRWDZBQOSA-N. The full InChI is InChI=1S/C27H17NO6/c29-18-13-19(14-6-2-1-3-7-14)33-26-21-17(16-10-4-8-15-9-5-11-28-23(15)16)12-20(30)34-27(21)25(32)24(31)22(18)26/h1-11,13,17,31-32H,12H2/t17-/m0/s1.
What are the key properties of (10S)-5,6-dihydroxy-2-phenyl-10-quinolin-8-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
(10S)-5,6-dihydroxy-2-phenyl-10-quinolin-8-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione has a molecular weight of 451.43 g/mol, XLogP of 4.86, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-5,6-dihydroxy-2-phenyl-10-quinolin-8-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is sourced from PubChem (CID 97424594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).