(2Z,9R)-9-(2-oxo-1H-quinolin-3-yl)-2-[(2,4,5-trimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

C30H23NO8 — CID 125122705

IUPAC(2Z,9R)-9-(2-oxo-1H-quinolin-3-yl)-2-[(2,4,5-trimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCOc1cc(OC)c(OC)cc1/C=C1\Oc2c(ccc3c2[C@H](c2cc4ccccc4[nH]c2=O)CC(=O)O3)C1=O
InChIInChI=1S/C30H23NO8/c1-35-22-14-24(37-3)23(36-2)11-16(22)12-25-28(33)17-8-9-21-27(29(17)39-25)18(13-26(32)38-21)19-10-15-6-4-5-7-20(15)31-30(19)34/h4-12,14,18H,13H2,1-3H3,(H,31,34)/b25-12-/t18-/m0/s1
InChIKeyNROFMQUZHKLTQP-OCBWPWIBSA-N
MW525.51 g/mol
LogP4.61
Rot. Bonds5

About (2Z,9R)-9-(2-oxo-1H-quinolin-3-yl)-2-[(2,4,5-trimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

(2Z,9R)-9-(2-oxo-1H-quinolin-3-yl)-2-[(2,4,5-trimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (PubChem CID 125122705) has the molecular formula C30H23NO8 and a molecular weight of 525.51 g/mol. Its IUPAC name is (2Z,9R)-9-(2-oxo-1H-quinolin-3-yl)-2-[(2,4,5-trimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

Molecular Properties

Compound Name(2Z,9R)-9-(2-oxo-1H-quinolin-3-yl)-2-[(2,4,5-trimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
PubChem CID125122705
Molecular FormulaC30H23NO8
Molecular Weight525.51 g/mol
Exact Mass525.14
IUPAC Name(2Z,9R)-9-(2-oxo-1H-quinolin-3-yl)-2-[(2,4,5-trimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCOc1cc(OC)c(OC)cc1/C=C1\Oc2c(ccc3c2[C@H](c2cc4ccccc4[nH]c2=O)CC(=O)O3)C1=O
InChIInChI=1S/C30H23NO8/c1-35-22-14-24(37-3)23(36-2)11-16(22)12-25-28(33)17-8-9-21-27(29(17)39-25)18(13-26(32)38-21)19-10-15-6-4-5-7-20(15)31-30(19)34/h4-12,14,18H,13H2,1-3H3,(H,31,34)/b25-12-/t18-/m0/s1
InChIKeyNROFMQUZHKLTQP-OCBWPWIBSA-N
XLogP4.61
TPSA113.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.51
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,9R)-9-(2-oxo-1H-quinolin-3-yl)-2-[(2,4,5-trimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The IUPAC name of (2Z,9R)-9-(2-oxo-1H-quinolin-3-yl)-2-[(2,4,5-trimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (CID 125122705) is (2Z,9R)-9-(2-oxo-1H-quinolin-3-yl)-2-[(2,4,5-trimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.
What is the SMILES notation for (2Z,9R)-9-(2-oxo-1H-quinolin-3-yl)-2-[(2,4,5-trimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The canonical SMILES for (2Z,9R)-9-(2-oxo-1H-quinolin-3-yl)-2-[(2,4,5-trimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is COc1cc(OC)c(OC)cc1/C=C1\Oc2c(ccc3c2[C@H](c2cc4ccccc4[nH]c2=O)CC(=O)O3)C1=O.
What is the InChIKey of (2Z,9R)-9-(2-oxo-1H-quinolin-3-yl)-2-[(2,4,5-trimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The InChIKey is NROFMQUZHKLTQP-OCBWPWIBSA-N. The full InChI is InChI=1S/C30H23NO8/c1-35-22-14-24(37-3)23(36-2)11-16(22)12-25-28(33)17-8-9-21-27(29(17)39-25)18(13-26(32)38-21)19-10-15-6-4-5-7-20(15)31-30(19)34/h4-12,14,18H,13H2,1-3H3,(H,31,34)/b25-12-/t18-/m0/s1.
What are the key properties of (2Z,9R)-9-(2-oxo-1H-quinolin-3-yl)-2-[(2,4,5-trimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
(2Z,9R)-9-(2-oxo-1H-quinolin-3-yl)-2-[(2,4,5-trimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione has a molecular weight of 525.51 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,9R)-9-(2-oxo-1H-quinolin-3-yl)-2-[(2,4,5-trimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is sourced from PubChem (CID 125122705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).