4,5-dihydroxy-6-[(E)-2-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]ethenyl]-3-methoxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one

C27H33NO7 — CID 11996742

IUPAC4,5-dihydroxy-6-[(E)-2-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]ethenyl]-3-methoxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one
SMILESCOc1ccc(C2(O)c3c(ccc(/C=C/C4(C)CCC(C(C)(C)O)O4)c3O)NC(=O)C2OC)cc1
InChIInChI=1S/C27H33NO7/c1-25(2,31)20-13-15-26(3,35-20)14-12-16-6-11-19-21(22(16)29)27(32,23(34-5)24(30)28-19)17-7-9-18(33-4)10-8-17/h6-12,14,20,23,29,31-32H,13,15H2,1-5H3,(H,28,30)/b14-12+
InChIKeyUUEDXFOVEZEJLQ-WYMLVPIESA-N
MW483.56 g/mol
LogP3.33
Rot. Bonds6

About 4,5-dihydroxy-6-[(E)-2-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]ethenyl]-3-methoxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one

4,5-dihydroxy-6-[(E)-2-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]ethenyl]-3-methoxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one (PubChem CID 11996742) has the molecular formula C27H33NO7 and a molecular weight of 483.56 g/mol. Its IUPAC name is 4,5-dihydroxy-6-[(E)-2-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]ethenyl]-3-methoxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one.

Molecular Properties

Compound Name4,5-dihydroxy-6-[(E)-2-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]ethenyl]-3-methoxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one
PubChem CID11996742
Molecular FormulaC27H33NO7
Molecular Weight483.56 g/mol
Exact Mass483.23
IUPAC Name4,5-dihydroxy-6-[(E)-2-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]ethenyl]-3-methoxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one
SMILESCOc1ccc(C2(O)c3c(ccc(/C=C/C4(C)CCC(C(C)(C)O)O4)c3O)NC(=O)C2OC)cc1
InChIInChI=1S/C27H33NO7/c1-25(2,31)20-13-15-26(3,35-20)14-12-16-6-11-19-21(22(16)29)27(32,23(34-5)24(30)28-19)17-7-9-18(33-4)10-8-17/h6-12,14,20,23,29,31-32H,13,15H2,1-5H3,(H,28,30)/b14-12+
InChIKeyUUEDXFOVEZEJLQ-WYMLVPIESA-N
XLogP3.33
TPSA117.48 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.56
LogP ≤ 53.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 4,5-dihydroxy-6-[(E)-2-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]ethenyl]-3-methoxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroxy-6-[(E)-2-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]ethenyl]-3-methoxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one?
The IUPAC name of 4,5-dihydroxy-6-[(E)-2-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]ethenyl]-3-methoxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one (CID 11996742) is 4,5-dihydroxy-6-[(E)-2-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]ethenyl]-3-methoxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one.
What is the SMILES notation for 4,5-dihydroxy-6-[(E)-2-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]ethenyl]-3-methoxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one?
The canonical SMILES for 4,5-dihydroxy-6-[(E)-2-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]ethenyl]-3-methoxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one is COc1ccc(C2(O)c3c(ccc(/C=C/C4(C)CCC(C(C)(C)O)O4)c3O)NC(=O)C2OC)cc1.
What is the InChIKey of 4,5-dihydroxy-6-[(E)-2-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]ethenyl]-3-methoxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one?
The InChIKey is UUEDXFOVEZEJLQ-WYMLVPIESA-N. The full InChI is InChI=1S/C27H33NO7/c1-25(2,31)20-13-15-26(3,35-20)14-12-16-6-11-19-21(22(16)29)27(32,23(34-5)24(30)28-19)17-7-9-18(33-4)10-8-17/h6-12,14,20,23,29,31-32H,13,15H2,1-5H3,(H,28,30)/b14-12+.
What are the key properties of 4,5-dihydroxy-6-[(E)-2-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]ethenyl]-3-methoxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one?
4,5-dihydroxy-6-[(E)-2-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]ethenyl]-3-methoxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one has a molecular weight of 483.56 g/mol, XLogP of 3.33, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroxy-6-[(E)-2-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]ethenyl]-3-methoxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one is sourced from PubChem (CID 11996742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).