9-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

C25H21NO6 — CID 91636917

IUPAC9-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCOc1ccc2cc(C3CC(=O)Oc4ccc5c(c43)OC(=C(C)C)C5=O)c(=O)n(C)c2c1
InChIInChI=1S/C25H21NO6/c1-12(2)23-22(28)15-7-8-19-21(24(15)32-23)16(11-20(27)31-19)17-9-13-5-6-14(30-4)10-18(13)26(3)25(17)29/h5-10,16H,11H2,1-4H3
InChIKeyQUTMNYSZNJEUCR-UHFFFAOYSA-N
MW431.44 g/mol
LogP3.86
Rot. Bonds2

About 9-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

9-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (PubChem CID 91636917) has the molecular formula C25H21NO6 and a molecular weight of 431.44 g/mol. Its IUPAC name is 9-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

Molecular Properties

Compound Name9-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
PubChem CID91636917
Molecular FormulaC25H21NO6
Molecular Weight431.44 g/mol
Exact Mass431.14
IUPAC Name9-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCOc1ccc2cc(C3CC(=O)Oc4ccc5c(c43)OC(=C(C)C)C5=O)c(=O)n(C)c2c1
InChIInChI=1S/C25H21NO6/c1-12(2)23-22(28)15-7-8-19-21(24(15)32-23)16(11-20(27)31-19)17-9-13-5-6-14(30-4)10-18(13)26(3)25(17)29/h5-10,16H,11H2,1-4H3
InChIKeyQUTMNYSZNJEUCR-UHFFFAOYSA-N
XLogP3.86
TPSA83.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 9-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The IUPAC name of 9-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (CID 91636917) is 9-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.
What is the SMILES notation for 9-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The canonical SMILES for 9-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is COc1ccc2cc(C3CC(=O)Oc4ccc5c(c43)OC(=C(C)C)C5=O)c(=O)n(C)c2c1.
What is the InChIKey of 9-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The InChIKey is QUTMNYSZNJEUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO6/c1-12(2)23-22(28)15-7-8-19-21(24(15)32-23)16(11-20(27)31-19)17-9-13-5-6-14(30-4)10-18(13)26(3)25(17)29/h5-10,16H,11H2,1-4H3.
What are the key properties of 9-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
9-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione has a molecular weight of 431.44 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is sourced from PubChem (CID 91636917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).